REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1szg_1_A DATA FIRST_RESID 100 DATA SEQUENCE GETKEDIARK EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAYYSSGAN DATA SEQUENCE DEVTHRENHN AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATGL DATA SEQUENCE CKLGNPLEGE KDVARGCGQG VTKVPQMIST AASCSPEEII EAAPSDKQIQ DATA SEQUENCE WYQLYVNSDR KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFSN DATA SEQUENCE TXXXXXXXXX XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK DATA SEQUENCE GVQRTEDVIK AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN DATA SEQUENCE LKDKLEVFVD GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK DATA SEQUENCE AIEILRDEIE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV DATA SEQUENCE YEGPTLTEFE DA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 100 G HA2 0.000 nan 3.960 nan 0.000 0.244 100 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 100 G C 0.000 174.894 174.900 -0.010 0.000 0.946 100 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 101 E N 1.577 121.769 120.200 -0.014 0.000 2.197 101 E HA 0.443 4.793 4.350 -0.000 0.000 0.281 101 E C 0.908 177.500 176.600 -0.013 0.000 0.995 101 E CA -0.237 56.155 56.400 -0.014 0.000 0.808 101 E CB 1.922 31.611 29.700 -0.019 0.000 1.093 101 E HN 0.429 nan 8.360 nan 0.000 0.394 102 T N 1.805 116.351 114.554 -0.013 0.000 3.092 102 T HA 0.105 4.455 4.350 -0.000 0.000 0.374 102 T C 0.667 175.358 174.700 -0.014 0.000 1.190 102 T CA -0.411 61.682 62.100 -0.012 0.000 1.021 102 T CB 0.233 69.094 68.868 -0.011 0.000 1.556 102 T HN 0.190 nan 8.240 nan 0.000 0.540 103 K N 1.639 122.031 120.400 -0.013 0.000 3.041 103 K HA 0.108 4.428 4.320 -0.000 0.000 0.243 103 K C 1.568 178.158 176.600 -0.018 0.000 1.167 103 K CA -0.081 56.197 56.287 -0.015 0.000 1.235 103 K CB -0.121 32.372 32.500 -0.012 0.000 1.205 103 K HN 0.637 nan 8.250 nan 0.000 0.448 104 E N -0.008 120.180 120.200 -0.020 0.000 2.478 104 E HA -0.123 4.226 4.350 -0.000 0.000 0.194 104 E C 0.062 176.643 176.600 -0.032 0.000 1.045 104 E CA 0.454 56.838 56.400 -0.027 0.000 0.868 104 E CB 0.199 29.883 29.700 -0.028 0.000 0.885 104 E HN 0.178 nan 8.360 nan 0.000 0.505 105 D N 0.981 121.365 120.400 -0.027 0.000 2.271 105 D HA -0.150 4.490 4.640 -0.000 0.000 0.207 105 D C 1.531 177.814 176.300 -0.029 0.000 0.983 105 D CA 0.719 54.703 54.000 -0.028 0.000 0.878 105 D CB 0.118 40.905 40.800 -0.023 0.000 0.920 105 D HN 0.293 nan 8.370 nan 0.000 0.479 106 I N 0.651 121.205 120.570 -0.026 0.000 2.385 106 I HA 0.002 4.171 4.170 -0.000 0.000 0.244 106 I C 2.338 178.437 176.117 -0.030 0.000 1.089 106 I CA 0.310 61.595 61.300 -0.025 0.000 1.410 106 I CB -1.016 36.972 38.000 -0.019 0.000 1.117 106 I HN -0.123 nan 8.210 nan 0.000 0.429 107 A N 0.148 122.949 122.820 -0.032 0.000 1.948 107 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 107 A C 2.444 179.998 177.584 -0.051 0.000 1.177 107 A CA 2.033 54.047 52.037 -0.038 0.000 0.636 107 A CB -0.629 18.348 19.000 -0.039 0.000 0.815 107 A HN 0.318 nan 8.150 nan 0.000 0.449 108 R N -1.180 119.286 120.500 -0.056 0.000 2.148 108 R HA 0.005 4.345 4.340 -0.000 0.000 0.223 108 R C 2.031 178.295 176.300 -0.060 0.000 1.088 108 R CA 1.390 57.448 56.100 -0.069 0.000 0.985 108 R CB -0.099 30.160 30.300 -0.068 0.000 0.880 108 R HN 0.383 nan 8.270 nan 0.000 0.451 109 K N 0.289 120.662 120.400 -0.045 0.000 2.137 109 K HA -0.093 4.226 4.320 -0.000 0.000 0.202 109 K C 1.687 178.266 176.600 -0.035 0.000 1.052 109 K CA 1.406 57.670 56.287 -0.038 0.000 0.961 109 K CB 0.175 32.658 32.500 -0.028 0.000 0.741 109 K HN 0.344 nan 8.250 nan 0.000 0.452 110 E N -0.312 119.868 120.200 -0.033 0.000 2.107 110 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 110 E C 1.887 178.467 176.600 -0.032 0.000 0.982 110 E CA 0.906 57.290 56.400 -0.027 0.000 0.809 110 E CB -0.169 29.518 29.700 -0.022 0.000 0.756 110 E HN 0.097 nan 8.360 nan 0.000 0.459 111 Q N 0.465 120.238 119.800 -0.045 0.000 1.967 111 Q HA -0.202 4.138 4.340 -0.000 0.000 0.210 111 Q C 2.081 178.043 176.000 -0.063 0.000 1.005 111 Q CA 1.964 57.732 55.803 -0.059 0.000 0.862 111 Q CB -0.560 28.126 28.738 -0.087 0.000 0.939 111 Q HN 0.368 nan 8.270 nan 0.000 0.417 112 L N 0.799 121.978 121.223 -0.073 0.000 1.990 112 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 112 L C 0.360 177.198 176.870 -0.054 0.000 1.072 112 L CA 1.811 56.603 54.840 -0.079 0.000 0.755 112 L CB -0.751 41.266 42.059 -0.070 0.000 0.889 112 L HN 0.135 nan 8.230 nan 0.000 0.432 113 K N -0.055 120.323 120.400 -0.037 0.000 2.245 113 K HA 0.035 4.355 4.320 -0.000 0.000 0.281 113 K C 1.017 177.611 176.600 -0.010 0.000 1.079 113 K CA 0.668 56.943 56.287 -0.020 0.000 1.000 113 K CB 0.037 32.527 32.500 -0.017 0.000 1.038 113 K HN 0.324 nan 8.250 nan 0.000 0.430 114 S N 1.347 117.047 115.700 -0.001 0.000 2.749 114 S HA -0.205 4.265 4.470 -0.000 0.000 0.265 114 S C 0.942 175.552 174.600 0.018 0.000 1.307 114 S CA 1.070 59.279 58.200 0.015 0.000 1.452 114 S CB -0.723 62.486 63.200 0.015 0.000 1.834 114 S HN 0.543 nan 8.310 nan 0.000 0.691 115 L N 0.975 122.201 121.223 0.005 0.000 2.395 115 L HA 0.286 4.625 4.340 -0.000 0.000 0.218 115 L C 0.897 177.779 176.870 0.021 0.000 1.130 115 L CA 1.021 55.867 54.840 0.009 0.000 0.826 115 L CB -0.373 41.684 42.059 -0.004 0.000 0.941 115 L HN 0.421 nan 8.230 nan 0.000 0.451 116 L N 2.095 123.325 121.223 0.012 0.000 2.540 116 L HA 0.051 4.390 4.340 -0.000 0.000 0.276 116 L C -1.608 175.334 176.870 0.120 0.000 1.212 116 L CA -1.212 53.651 54.840 0.039 0.000 0.893 116 L CB 0.075 42.106 42.059 -0.048 0.000 1.138 116 L HN 0.043 nan 8.230 nan 0.000 0.491 117 P HA 0.210 nan 4.420 nan 0.000 0.274 117 P C -2.585 174.823 177.300 0.179 0.000 1.237 117 P CA -1.485 61.698 63.100 0.138 0.000 0.793 117 P CB -0.277 31.487 31.700 0.107 0.000 0.977 118 P HA 0.018 nan 4.420 nan 0.000 0.265 118 P C 1.152 178.435 177.300 -0.029 0.000 1.193 118 P CA -0.194 62.942 63.100 0.060 0.000 0.765 118 P CB 0.184 31.899 31.700 0.026 0.000 0.823 119 L N 3.038 124.188 121.223 -0.122 0.000 2.089 119 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 119 L C 1.434 178.197 176.870 -0.179 0.000 1.079 119 L CA 1.974 56.626 54.840 -0.313 0.000 0.758 119 L CB -1.029 40.863 42.059 -0.278 0.000 0.891 119 L HN 0.375 nan 8.230 nan 0.000 0.433 120 D N -1.005 119.339 120.400 -0.093 0.000 2.310 120 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 120 D C 1.295 177.553 176.300 -0.070 0.000 0.965 120 D CA 0.730 54.691 54.000 -0.065 0.000 0.879 120 D CB -0.187 40.592 40.800 -0.035 0.000 0.921 120 D HN 0.412 nan 8.370 nan 0.000 0.510 121 N N 0.122 118.776 118.700 -0.076 0.000 2.336 121 N HA 0.035 4.774 4.740 -0.000 0.000 0.189 121 N C 0.237 175.684 175.510 -0.105 0.000 1.113 121 N CA 0.006 53.016 53.050 -0.067 0.000 0.858 121 N CB 0.556 39.023 38.487 -0.034 0.000 0.970 121 N HN 0.143 nan 8.380 nan 0.000 0.471 122 I N 1.453 121.918 120.570 -0.175 0.000 2.379 122 I HA 0.070 4.240 4.170 -0.000 0.000 0.290 122 I C 1.438 177.419 176.117 -0.228 0.000 1.063 122 I CA 0.025 61.154 61.300 -0.284 0.000 1.351 122 I CB 0.472 38.144 38.000 -0.546 0.000 1.410 122 I HN -0.002 nan 8.210 nan 0.000 0.505 123 I N 5.897 126.356 120.570 -0.185 0.000 2.628 123 I HA -0.045 4.125 4.170 -0.000 0.000 0.255 123 I C 1.080 177.122 176.117 -0.126 0.000 1.119 123 I CA 0.605 61.832 61.300 -0.121 0.000 1.448 123 I CB 0.151 38.105 38.000 -0.076 0.000 1.133 123 I HN 0.707 nan 8.210 nan 0.000 0.438 124 N N -1.039 117.566 118.700 -0.158 0.000 2.902 124 N HA 0.163 4.903 4.740 -0.000 0.000 0.268 124 N C -0.015 175.377 175.510 -0.197 0.000 1.450 124 N CA -0.683 52.281 53.050 -0.144 0.000 0.819 124 N CB 1.857 40.305 38.487 -0.066 0.000 1.540 124 N HN -0.261 nan 8.380 nan 0.000 0.545 125 L N 0.134 121.227 121.223 -0.218 0.000 2.201 125 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 125 L C 1.892 178.714 176.870 -0.080 0.000 1.105 125 L CA 1.289 56.045 54.840 -0.141 0.000 0.775 125 L CB -1.458 40.413 42.059 -0.315 0.000 0.913 125 L HN 0.554 nan 8.230 nan 0.000 0.440 126 Y N -0.019 120.292 120.300 0.019 0.000 2.224 126 Y HA -0.215 4.334 4.550 -0.000 0.000 0.289 126 Y C 2.436 178.363 175.900 0.045 0.000 1.146 126 Y CA 0.855 58.976 58.100 0.035 0.000 1.182 126 Y CB -0.767 37.690 38.460 -0.006 0.000 0.983 126 Y HN 0.249 nan 8.280 nan 0.000 0.524 127 D N -0.421 120.035 120.400 0.094 0.000 2.116 127 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 127 D C 2.088 178.438 176.300 0.084 0.000 0.998 127 D CA 1.426 55.438 54.000 0.020 0.000 0.836 127 D CB -0.635 40.054 40.800 -0.185 0.000 0.951 127 D HN 0.222 nan 8.370 nan 0.000 0.449 128 F N 1.250 121.290 119.950 0.152 0.000 2.095 128 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 128 F C 2.532 178.399 175.800 0.112 0.000 1.104 128 F CA 1.052 59.157 58.000 0.175 0.000 1.232 128 F CB -0.827 38.275 39.000 0.170 0.000 0.987 128 F HN 0.009 nan 8.300 nan 0.000 0.475 129 E N -0.876 119.503 120.200 0.299 0.000 2.097 129 E HA -0.316 4.034 4.350 -0.000 0.000 0.196 129 E C 2.244 178.801 176.600 -0.072 0.000 1.000 129 E CA 1.612 57.993 56.400 -0.030 0.000 0.804 129 E CB -0.468 29.338 29.700 0.176 0.000 0.740 129 E HN 0.494 nan 8.360 nan 0.000 0.454 130 Y N 0.552 120.831 120.300 -0.034 0.000 2.133 130 Y HA -0.211 4.339 4.550 -0.000 0.000 0.287 130 Y C 1.875 177.687 175.900 -0.147 0.000 1.134 130 Y CA 1.264 59.306 58.100 -0.097 0.000 1.133 130 Y CB -0.461 37.968 38.460 -0.053 0.000 0.987 130 Y HN 0.067 nan 8.280 nan 0.000 0.502 131 L N 0.798 121.881 121.223 -0.234 0.000 2.013 131 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 131 L C 2.761 179.432 176.870 -0.332 0.000 1.073 131 L CA 2.085 56.750 54.840 -0.293 0.000 0.753 131 L CB -2.070 39.995 42.059 0.009 0.000 0.890 131 L HN 0.438 nan 8.230 nan 0.000 0.432 132 A N -0.685 122.006 122.820 -0.216 0.000 1.933 132 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 132 A C 2.498 179.789 177.584 -0.487 0.000 1.175 132 A CA 1.992 53.922 52.037 -0.178 0.000 0.628 132 A CB -0.815 18.215 19.000 0.048 0.000 0.814 132 A HN 0.570 nan 8.150 nan 0.000 0.444 133 S N -1.069 114.080 115.700 -0.917 0.000 2.442 133 S HA -0.166 4.304 4.470 -0.000 0.000 0.236 133 S C 1.629 175.635 174.600 -0.990 0.000 1.007 133 S CA 1.405 58.644 58.200 -1.602 0.000 0.965 133 S CB -0.248 62.092 63.200 -1.434 0.000 0.773 133 S HN 0.554 nan 8.310 nan 0.000 0.504 134 Q N 0.819 120.192 119.800 -0.713 0.000 2.384 134 Q HA 0.149 4.489 4.340 -0.000 0.000 0.207 134 Q C 1.884 177.685 176.000 -0.332 0.000 0.904 134 Q CA 1.424 56.929 55.803 -0.496 0.000 0.933 134 Q CB 0.147 28.583 28.738 -0.504 0.000 1.077 134 Q HN 0.923 nan 8.270 nan 0.000 0.522 135 T N -3.390 110.985 114.554 -0.299 0.000 2.964 135 T HA 0.299 4.649 4.350 -0.000 0.000 0.249 135 T C 1.020 175.656 174.700 -0.108 0.000 1.000 135 T CA -0.254 61.740 62.100 -0.177 0.000 0.992 135 T CB 0.141 68.915 68.868 -0.155 0.000 1.087 135 T HN -0.054 nan 8.240 nan 0.000 0.489 136 L N 3.602 124.777 121.223 -0.080 0.000 2.467 136 L HA 0.326 4.665 4.340 -0.000 0.000 0.270 136 L C 1.142 178.014 176.870 0.004 0.000 1.205 136 L CA -0.639 54.215 54.840 0.023 0.000 0.828 136 L CB 0.380 42.544 42.059 0.175 0.000 1.101 136 L HN 0.349 nan 8.230 nan 0.000 0.479 137 T N -1.310 113.251 114.554 0.012 0.000 2.903 137 T HA 0.039 4.389 4.350 -0.000 0.000 0.314 137 T C 1.002 175.731 174.700 0.047 0.000 1.078 137 T CA -0.493 61.609 62.100 0.003 0.000 1.114 137 T CB 0.744 69.601 68.868 -0.017 0.000 0.987 137 T HN 0.564 nan 8.240 nan 0.000 0.548 138 K N 0.693 121.118 120.400 0.041 0.000 2.089 138 K HA -0.247 4.072 4.320 -0.000 0.000 0.210 138 K C 2.516 179.166 176.600 0.082 0.000 1.048 138 K CA 2.033 58.372 56.287 0.086 0.000 0.926 138 K CB -0.185 32.344 32.500 0.048 0.000 0.714 138 K HN 0.845 nan 8.250 nan 0.000 0.448 139 Q N 0.701 120.510 119.800 0.014 0.000 2.119 139 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 139 Q C 1.993 177.961 176.000 -0.052 0.000 0.972 139 Q CA 1.480 57.267 55.803 -0.026 0.000 0.847 139 Q CB -0.076 28.621 28.738 -0.068 0.000 0.903 139 Q HN 0.272 nan 8.270 nan 0.000 0.433 140 A N 1.426 124.199 122.820 -0.079 0.000 1.873 140 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 140 A C 1.889 179.382 177.584 -0.150 0.000 1.186 140 A CA 1.098 52.991 52.037 -0.241 0.000 0.616 140 A CB -1.592 17.303 19.000 -0.175 0.000 0.823 140 A HN 0.782 nan 8.150 nan 0.000 0.442 141 W N 0.699 121.941 121.300 -0.096 0.000 2.358 141 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 141 W C 2.219 178.772 176.519 0.056 0.000 1.208 141 W CA 1.723 59.081 57.345 0.022 0.000 1.274 141 W CB -0.076 29.387 29.460 0.005 0.000 1.138 141 W HN 0.427 nan 8.180 nan 0.000 0.515 142 A N -0.456 122.335 122.820 -0.049 0.000 1.897 142 A HA -0.260 4.060 4.320 -0.000 0.000 0.215 142 A C 1.744 179.260 177.584 -0.114 0.000 1.181 142 A CA 1.529 53.488 52.037 -0.130 0.000 0.620 142 A CB -1.627 17.360 19.000 -0.020 0.000 0.821 142 A HN 0.497 nan 8.150 nan 0.000 0.443 143 Y N -1.037 119.153 120.300 -0.184 0.000 2.242 143 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 143 Y C 2.103 177.989 175.900 -0.023 0.000 1.137 143 Y CA 1.747 59.765 58.100 -0.136 0.000 1.181 143 Y CB -0.225 38.124 38.460 -0.186 0.000 0.989 143 Y HN 0.377 nan 8.280 nan 0.000 0.527 144 Y N -0.802 119.456 120.300 -0.070 0.000 2.231 144 Y HA -0.069 4.481 4.550 -0.000 0.000 0.294 144 Y C 2.903 178.629 175.900 -0.290 0.000 1.120 144 Y CA 1.034 59.044 58.100 -0.150 0.000 1.141 144 Y CB -1.246 37.253 38.460 0.065 0.000 1.022 144 Y HN 0.249 nan 8.280 nan 0.000 0.523 145 S N -0.402 115.128 115.700 -0.283 0.000 2.558 145 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 145 S C 0.934 175.310 174.600 -0.374 0.000 0.975 145 S CA 0.051 57.975 58.200 -0.460 0.000 0.912 145 S CB -0.692 61.704 63.200 -1.341 0.000 0.776 145 S HN 0.273 nan 8.310 nan 0.000 0.526 146 S N 0.023 115.520 115.700 -0.339 0.000 2.672 146 S HA 0.809 5.279 4.470 -0.000 0.000 0.276 146 S C 0.286 174.696 174.600 -0.316 0.000 1.207 146 S CA -0.275 57.762 58.200 -0.272 0.000 1.002 146 S CB 1.193 64.276 63.200 -0.194 0.000 0.998 146 S HN 0.569 nan 8.310 nan 0.000 0.542 147 G N -0.448 108.211 108.800 -0.235 0.000 2.816 147 G HA2 0.709 4.669 3.960 -0.000 0.000 0.288 147 G HA3 0.709 4.669 3.960 -0.000 0.000 0.288 147 G C -0.555 174.286 174.900 -0.099 0.000 1.334 147 G CA -0.785 44.193 45.100 -0.204 0.000 0.978 147 G HN 1.157 nan 8.290 nan 0.000 0.493 148 A N -0.198 122.582 122.820 -0.067 0.000 2.462 148 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 148 A C 1.108 178.686 177.584 -0.009 0.000 1.076 148 A CA 0.716 52.733 52.037 -0.034 0.000 0.773 148 A CB -0.660 18.325 19.000 -0.025 0.000 1.010 148 A HN 1.040 nan 8.150 nan 0.000 0.493 149 N N 1.035 119.740 118.700 0.008 0.000 1.154 149 N HA -0.270 4.470 4.740 -0.000 0.000 0.135 149 N C 0.259 175.787 175.510 0.030 0.000 0.562 149 N CA 2.219 55.288 53.050 0.031 0.000 0.947 149 N CB -0.619 37.901 38.487 0.055 0.000 1.354 149 N HN 0.791 nan 8.380 nan 0.000 0.505 150 D N 1.945 122.370 120.400 0.042 0.000 2.363 150 D HA -0.017 4.623 4.640 -0.000 0.000 0.226 150 D C -0.109 176.198 176.300 0.011 0.000 1.020 150 D CA 0.700 54.723 54.000 0.039 0.000 0.892 150 D CB -0.240 40.601 40.800 0.069 0.000 0.900 150 D HN 0.492 nan 8.370 nan 0.000 0.531 151 E N -0.696 119.503 120.200 -0.002 0.000 2.791 151 E HA -0.220 4.130 4.350 -0.000 0.000 0.271 151 E C 1.428 178.018 176.600 -0.016 0.000 1.044 151 E CA 0.333 56.747 56.400 0.023 0.000 0.814 151 E CB -1.762 27.986 29.700 0.079 0.000 1.400 151 E HN 0.315 nan 8.360 nan 0.000 0.423 152 V N -1.963 117.865 119.914 -0.143 0.000 2.379 152 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 152 V C 2.020 177.979 176.094 -0.224 0.000 1.044 152 V CA 2.335 64.492 62.300 -0.238 0.000 1.036 152 V CB -0.256 31.294 31.823 -0.455 0.000 0.664 152 V HN 0.304 nan 8.190 nan 0.000 0.453 153 T N 0.058 114.468 114.554 -0.239 0.000 2.720 153 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 153 T C 1.763 176.464 174.700 0.003 0.000 1.037 153 T CA 2.289 64.313 62.100 -0.127 0.000 1.144 153 T CB -0.545 68.270 68.868 -0.087 0.000 0.864 153 T HN 0.882 nan 8.240 nan 0.000 0.444 154 H N 1.533 120.565 119.070 -0.063 0.000 2.289 154 H HA -0.019 4.536 4.556 -0.000 0.000 0.296 154 H C 2.375 177.706 175.328 0.005 0.000 1.091 154 H CA 1.842 57.877 56.048 -0.021 0.000 1.274 154 H CB -0.118 29.626 29.762 -0.030 0.000 1.364 154 H HN 0.234 nan 8.280 nan 0.000 0.490 155 R N -0.457 119.923 120.500 -0.201 0.000 2.073 155 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 155 R C 2.371 178.625 176.300 -0.077 0.000 1.120 155 R CA 1.198 57.172 56.100 -0.211 0.000 0.967 155 R CB -0.118 30.104 30.300 -0.130 0.000 0.862 155 R HN 0.374 nan 8.270 nan 0.000 0.436 156 E N 1.409 121.570 120.200 -0.064 0.000 2.085 156 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 156 E C 1.187 177.781 176.600 -0.010 0.000 0.994 156 E CA 1.859 58.234 56.400 -0.043 0.000 0.801 156 E CB -0.311 29.349 29.700 -0.066 0.000 0.743 156 E HN 0.338 nan 8.360 nan 0.000 0.453 157 N N -1.256 117.457 118.700 0.022 0.000 2.091 157 N HA -0.281 4.459 4.740 -0.000 0.000 0.193 157 N C 1.771 177.384 175.510 0.172 0.000 1.021 157 N CA 1.470 54.572 53.050 0.086 0.000 0.862 157 N CB -0.326 38.236 38.487 0.124 0.000 1.018 157 N HN 0.323 nan 8.380 nan 0.000 0.429 158 H N 0.654 119.741 119.070 0.029 0.000 2.343 158 H HA 0.125 4.681 4.556 -0.000 0.000 0.303 158 H C 1.475 176.768 175.328 -0.058 0.000 1.068 158 H CA 1.574 57.638 56.048 0.027 0.000 1.359 158 H CB -0.057 29.654 29.762 -0.086 0.000 1.402 158 H HN 0.229 nan 8.280 nan 0.000 0.515 159 N N -0.063 118.533 118.700 -0.173 0.000 2.223 159 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 159 N C 1.894 177.290 175.510 -0.191 0.000 1.016 159 N CA 0.650 53.528 53.050 -0.287 0.000 0.863 159 N CB -0.062 38.367 38.487 -0.097 0.000 0.983 159 N HN 0.425 nan 8.380 nan 0.000 0.429 160 A N 0.486 123.237 122.820 -0.115 0.000 2.019 160 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 160 A C 1.506 179.004 177.584 -0.143 0.000 1.164 160 A CA 0.988 52.955 52.037 -0.117 0.000 0.644 160 A CB -0.791 18.118 19.000 -0.151 0.000 0.805 160 A HN 0.329 nan 8.150 nan 0.000 0.449 161 Y N -0.478 119.739 120.300 -0.138 0.000 2.315 161 Y HA -0.233 4.316 4.550 -0.000 0.000 0.288 161 Y C 2.262 178.167 175.900 0.009 0.000 1.154 161 Y CA 1.893 59.942 58.100 -0.085 0.000 1.229 161 Y CB -0.283 38.104 38.460 -0.121 0.000 0.980 161 Y HN 0.463 nan 8.280 nan 0.000 0.540 162 H N -1.067 117.960 119.070 -0.071 0.000 2.551 162 H HA 0.139 4.694 4.556 -0.000 0.000 0.266 162 H C 1.549 176.874 175.328 -0.004 0.000 0.977 162 H CA 0.302 56.290 56.048 -0.101 0.000 1.163 162 H CB -0.013 29.706 29.762 -0.071 0.000 1.381 162 H HN 0.252 nan 8.280 nan 0.000 0.581 163 R N 0.103 120.670 120.500 0.112 0.000 2.313 163 R HA 0.200 4.539 4.340 -0.000 0.000 0.199 163 R C -0.155 176.210 176.300 0.108 0.000 0.958 163 R CA 0.232 56.398 56.100 0.110 0.000 1.047 163 R CB 0.491 30.816 30.300 0.041 0.000 0.955 163 R HN 0.182 nan 8.270 nan 0.000 0.481 164 I N 0.864 121.455 120.570 0.036 0.000 2.378 164 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 164 I C -0.491 175.540 176.117 -0.143 0.000 0.992 164 I CA -0.704 60.580 61.300 -0.028 0.000 1.154 164 I CB 1.227 39.150 38.000 -0.128 0.000 1.315 164 I HN -0.222 nan 8.210 nan 0.000 0.448 165 F N 4.526 124.341 119.950 -0.225 0.000 2.572 165 F HA 0.582 5.108 4.527 -0.000 0.000 0.342 165 F C -0.134 175.493 175.800 -0.288 0.000 1.064 165 F CA -0.511 57.331 58.000 -0.264 0.000 1.008 165 F CB 1.179 40.120 39.000 -0.099 0.000 1.303 165 F HN 0.109 nan 8.300 nan 0.000 0.492 166 F N 0.416 120.472 119.950 0.176 0.000 2.432 166 F HA 0.468 4.995 4.527 -0.000 0.000 0.329 166 F C 0.146 176.009 175.800 0.106 0.000 1.076 166 F CA -1.094 56.965 58.000 0.099 0.000 1.018 166 F CB 1.294 40.322 39.000 0.047 0.000 1.201 166 F HN 0.089 nan 8.300 nan 0.000 0.489 167 K N 3.162 123.748 120.400 0.310 0.000 2.682 167 K HA 0.270 4.590 4.320 -0.000 0.000 0.189 167 K C -2.675 174.001 176.600 0.126 0.000 1.062 167 K CA -1.544 54.849 56.287 0.176 0.000 0.997 167 K CB 0.723 33.300 32.500 0.128 0.000 1.405 167 K HN 0.248 nan 8.250 nan 0.000 0.588 168 P HA 0.079 nan 4.420 nan 0.000 0.271 168 P C -0.697 176.617 177.300 0.024 0.000 1.216 168 P CA -0.182 62.935 63.100 0.029 0.000 0.776 168 P CB 0.932 32.627 31.700 -0.008 0.000 0.881 169 K N 2.158 122.562 120.400 0.008 0.000 2.205 169 K HA 0.397 4.716 4.320 -0.000 0.000 0.279 169 K C 0.056 176.656 176.600 0.001 0.000 1.027 169 K CA -0.656 55.637 56.287 0.009 0.000 0.932 169 K CB 0.679 33.184 32.500 0.008 0.000 1.032 169 K HN 0.346 nan 8.250 nan 0.000 0.466 170 I N 2.410 122.983 120.570 0.006 0.000 2.822 170 I HA 0.182 4.352 4.170 -0.000 0.000 0.312 170 I C 0.241 176.359 176.117 0.003 0.000 1.011 170 I CA -0.577 60.725 61.300 0.003 0.000 1.105 170 I CB 1.134 39.139 38.000 0.007 0.000 1.291 170 I HN 0.645 nan 8.210 nan 0.000 0.474 171 L N 3.876 125.100 121.223 0.001 0.000 3.678 171 L HA -0.165 4.175 4.340 -0.000 0.000 0.425 171 L C -1.139 175.732 176.870 0.002 0.000 1.240 171 L CA -0.056 54.785 54.840 0.002 0.000 0.876 171 L CB -1.552 40.510 42.059 0.004 0.000 1.766 171 L HN 0.234 nan 8.230 nan 0.000 0.917 172 V N -1.366 118.548 119.914 -0.000 0.000 2.581 172 V HA 0.322 4.442 4.120 -0.000 0.000 0.303 172 V C 0.443 176.537 176.094 -0.001 0.000 1.041 172 V CA -0.688 61.612 62.300 -0.000 0.000 0.907 172 V CB 2.017 33.840 31.823 -0.001 0.000 0.994 172 V HN 0.103 nan 8.190 nan 0.000 0.442 173 D N 2.878 123.278 120.400 0.000 0.000 2.342 173 D HA 0.134 4.773 4.640 -0.000 0.000 0.260 173 D C 0.470 176.770 176.300 -0.001 0.000 1.278 173 D CA 0.236 54.236 54.000 0.000 0.000 0.910 173 D CB 1.279 42.080 40.800 0.002 0.000 1.079 173 D HN 0.491 nan 8.370 nan 0.000 0.496 174 V N 2.067 121.980 119.914 -0.003 0.000 2.988 174 V HA 0.308 4.428 4.120 -0.000 0.000 0.356 174 V C 1.797 177.890 176.094 -0.003 0.000 1.380 174 V CA -0.548 61.750 62.300 -0.004 0.000 1.184 174 V CB 0.136 31.953 31.823 -0.011 0.000 1.204 174 V HN 0.309 nan 8.190 nan 0.000 0.530 175 R N 1.370 121.870 120.500 -0.000 0.000 2.083 175 R HA -0.006 4.334 4.340 -0.000 0.000 0.237 175 R C 0.658 176.960 176.300 0.003 0.000 1.137 175 R CA 1.419 57.520 56.100 0.001 0.000 0.951 175 R CB 0.171 30.472 30.300 0.002 0.000 0.851 175 R HN 0.392 nan 8.270 nan 0.000 0.434 176 K N -0.010 120.393 120.400 0.004 0.000 2.259 176 K HA 0.421 4.740 4.320 -0.000 0.000 0.252 176 K C -1.448 175.157 176.600 0.008 0.000 0.936 176 K CA -0.760 55.532 56.287 0.007 0.000 0.810 176 K CB 2.410 34.915 32.500 0.008 0.000 1.143 176 K HN -0.101 nan 8.250 nan 0.000 0.427 177 V N 1.512 121.433 119.914 0.011 0.000 2.888 177 V HA 0.275 4.395 4.120 -0.000 0.000 0.309 177 V C -1.574 174.532 176.094 0.020 0.000 1.114 177 V CA -0.810 61.498 62.300 0.013 0.000 0.940 177 V CB 2.586 34.414 31.823 0.008 0.000 1.021 177 V HN 0.850 nan 8.190 nan 0.000 0.426 178 D N 3.192 123.606 120.400 0.024 0.000 2.757 178 D HA 0.462 5.101 4.640 -0.000 0.000 0.249 178 D C 0.274 176.593 176.300 0.031 0.000 1.168 178 D CA -0.461 53.557 54.000 0.031 0.000 0.870 178 D CB 1.649 42.472 40.800 0.038 0.000 1.411 178 D HN 0.514 nan 8.370 nan 0.000 0.525 179 I N 1.013 121.600 120.570 0.030 0.000 4.025 179 I HA 0.319 4.489 4.170 -0.000 0.000 0.336 179 I C 0.198 176.313 176.117 -0.002 0.000 1.390 179 I CA -0.558 60.759 61.300 0.027 0.000 1.099 179 I CB 0.187 38.215 38.000 0.047 0.000 1.049 179 I HN 0.220 nan 8.210 nan 0.000 0.394 180 S N 0.363 116.057 115.700 -0.010 0.000 2.593 180 S HA 0.612 5.081 4.470 -0.000 0.000 0.269 180 S C 0.208 174.748 174.600 -0.100 0.000 1.334 180 S CA 0.069 58.218 58.200 -0.085 0.000 1.015 180 S CB 1.771 64.959 63.200 -0.020 0.000 0.912 180 S HN 0.455 nan 8.310 nan 0.000 0.541 181 T N -0.399 114.025 114.554 -0.217 0.000 2.648 181 T HA 0.398 4.748 4.350 -0.000 0.000 0.304 181 T C -2.504 172.092 174.700 -0.173 0.000 1.312 181 T CA -0.581 61.449 62.100 -0.116 0.000 1.023 181 T CB 1.103 69.957 68.868 -0.024 0.000 1.612 181 T HN 0.924 nan 8.240 nan 0.000 0.487 182 D N 1.007 121.388 120.400 -0.032 0.000 2.457 182 D HA 0.564 5.204 4.640 -0.000 0.000 0.240 182 D C -1.022 175.340 176.300 0.103 0.000 1.041 182 D CA -0.668 53.345 54.000 0.023 0.000 0.861 182 D CB 1.904 42.744 40.800 0.066 0.000 1.394 182 D HN 0.562 nan 8.370 nan 0.000 0.473 183 M N 1.684 121.395 119.600 0.185 0.000 2.267 183 M HA 0.154 4.633 4.480 -0.000 0.000 0.289 183 M C -0.782 175.710 176.300 0.320 0.000 1.043 183 M CA -0.880 54.622 55.300 0.337 0.000 0.928 183 M CB 2.184 35.123 32.600 0.564 0.000 1.613 183 M HN 0.228 nan 8.290 nan 0.000 0.450 184 L N 2.960 124.331 121.223 0.245 0.000 3.739 184 L HA -0.241 4.099 4.340 -0.000 0.000 0.442 184 L C 1.133 178.083 176.870 0.132 0.000 1.241 184 L CA 1.858 56.781 54.840 0.138 0.000 0.819 184 L CB -2.753 39.337 42.059 0.051 0.000 1.679 184 L HN 1.228 nan 8.230 nan 0.000 0.889 185 G N -1.851 107.017 108.800 0.113 0.000 2.184 185 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 185 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 185 G C 0.531 175.498 174.900 0.112 0.000 0.975 185 G CA 0.573 45.730 45.100 0.095 0.000 0.642 185 G HN 0.682 nan 8.290 nan 0.000 0.536 186 S N -0.670 115.118 115.700 0.146 0.000 2.578 186 S HA 0.594 5.064 4.470 -0.000 0.000 0.301 186 S C -0.370 174.310 174.600 0.134 0.000 1.091 186 S CA -0.577 57.704 58.200 0.135 0.000 1.032 186 S CB 1.771 65.050 63.200 0.132 0.000 1.064 186 S HN 0.563 nan 8.310 nan 0.000 0.508 187 H N 0.835 119.930 119.070 0.041 0.000 2.610 187 H HA 0.560 5.116 4.556 -0.000 0.000 0.336 187 H C -0.997 174.334 175.328 0.004 0.000 1.087 187 H CA -0.006 56.058 56.048 0.026 0.000 1.405 187 H CB 0.434 30.203 29.762 0.011 0.000 1.460 187 H HN 0.281 nan 8.280 nan 0.000 0.538 188 V N 5.009 124.620 119.914 -0.505 0.000 2.709 188 V HA 0.070 4.190 4.120 -0.000 0.000 0.308 188 V C 0.183 176.050 176.094 -0.378 0.000 1.062 188 V CA -0.833 61.288 62.300 -0.298 0.000 0.901 188 V CB 2.033 33.756 31.823 -0.167 0.000 1.003 188 V HN 0.897 nan 8.190 nan 0.000 0.425 189 D N 1.727 122.008 120.400 -0.197 0.000 2.350 189 D HA 0.033 4.673 4.640 -0.000 0.000 0.216 189 D C 0.252 176.454 176.300 -0.162 0.000 0.968 189 D CA 1.184 55.109 54.000 -0.124 0.000 0.894 189 D CB 0.751 41.506 40.800 -0.076 0.000 0.909 189 D HN 0.245 nan 8.370 nan 0.000 0.520 190 V N 0.348 120.114 119.914 -0.245 0.000 3.087 190 V HA 0.193 4.313 4.120 -0.000 0.000 0.306 190 V C -2.149 173.799 176.094 -0.244 0.000 1.187 190 V CA -1.398 60.710 62.300 -0.319 0.000 0.999 190 V CB 3.106 34.526 31.823 -0.670 0.000 1.049 190 V HN -0.222 nan 8.190 nan 0.000 0.431 191 P HA 0.162 nan 4.420 nan 0.000 0.257 191 P C -0.484 176.948 177.300 0.219 0.000 1.281 191 P CA 0.339 63.489 63.100 0.083 0.000 0.826 191 P CB -0.268 31.516 31.700 0.139 0.000 1.237 192 F N 0.089 120.126 119.950 0.145 0.000 2.598 192 F HA 0.760 5.287 4.527 -0.000 0.000 0.327 192 F C -0.643 175.242 175.800 0.141 0.000 1.057 192 F CA -2.027 56.042 58.000 0.115 0.000 0.957 192 F CB 0.756 39.782 39.000 0.043 0.000 1.278 192 F HN -0.163 nan 8.300 nan 0.000 0.484 193 Y N -1.198 119.281 120.300 0.299 0.000 2.644 193 Y HA 0.773 5.322 4.550 -0.000 0.000 0.338 193 Y C -1.867 174.029 175.900 -0.007 0.000 1.119 193 Y CA -2.135 55.988 58.100 0.039 0.000 1.060 193 Y CB 0.938 39.405 38.460 0.011 0.000 1.294 193 Y HN 0.518 nan 8.280 nan 0.000 0.472 194 V N 2.434 122.293 119.914 -0.092 0.000 2.368 194 V HA 0.308 4.428 4.120 -0.000 0.000 0.266 194 V C 0.436 176.519 176.094 -0.019 0.000 1.045 194 V CA -0.317 61.821 62.300 -0.271 0.000 0.899 194 V CB 0.510 31.995 31.823 -0.563 0.000 1.006 194 V HN 0.872 nan 8.190 nan 0.000 0.470 195 S N 3.924 119.609 115.700 -0.025 0.000 2.608 195 S HA 0.583 5.053 4.470 -0.000 0.000 0.261 195 S C 0.597 175.130 174.600 -0.111 0.000 1.314 195 S CA -0.049 58.148 58.200 -0.006 0.000 0.992 195 S CB 0.843 64.019 63.200 -0.040 0.000 0.935 195 S HN 1.089 nan 8.310 nan 0.000 0.564 196 A N 2.360 125.079 122.820 -0.167 0.000 2.454 196 A HA 0.501 4.821 4.320 -0.000 0.000 0.260 196 A C 0.370 177.863 177.584 -0.152 0.000 1.106 196 A CA -0.021 51.908 52.037 -0.181 0.000 0.780 196 A CB -0.419 18.434 19.000 -0.245 0.000 1.044 196 A HN 0.902 nan 8.150 nan 0.000 0.498 197 T N 0.809 115.301 114.554 -0.103 0.000 2.879 197 T HA 0.646 4.996 4.350 -0.000 0.000 0.290 197 T C 0.237 174.964 174.700 0.045 0.000 0.993 197 T CA 0.031 62.096 62.100 -0.058 0.000 0.975 197 T CB 1.375 70.166 68.868 -0.127 0.000 0.981 197 T HN 1.129 nan 8.240 nan 0.000 0.439 198 G N 2.332 111.228 108.800 0.160 0.000 2.569 198 G HA2 0.496 4.456 3.960 -0.000 0.000 0.249 198 G HA3 0.496 4.456 3.960 -0.000 0.000 0.249 198 G C 0.573 175.672 174.900 0.330 0.000 1.216 198 G CA -1.065 44.182 45.100 0.245 0.000 0.845 198 G HN 1.426 nan 8.290 nan 0.000 0.568 199 L N -0.719 120.621 121.223 0.195 0.000 3.717 199 L HA -0.220 4.120 4.340 -0.000 0.000 0.411 199 L C 1.724 178.726 176.870 0.219 0.000 1.233 199 L CA -0.406 54.503 54.840 0.116 0.000 0.917 199 L CB -2.268 39.712 42.059 -0.133 0.000 1.902 199 L HN 0.559 nan 8.230 nan 0.000 0.894 200 C N -0.137 119.277 119.300 0.191 0.000 2.421 200 C HA -0.149 4.311 4.460 -0.000 0.000 0.296 200 C C 2.500 177.593 174.990 0.170 0.000 1.470 200 C CA 1.604 60.731 59.018 0.182 0.000 1.779 200 C CB -0.750 27.030 27.740 0.066 0.000 1.715 200 C HN 0.483 nan 8.230 nan 0.000 0.564 201 K N -0.065 120.403 120.400 0.114 0.000 2.365 201 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 201 K C 1.688 178.326 176.600 0.063 0.000 1.042 201 K CA 0.458 56.788 56.287 0.072 0.000 0.987 201 K CB -0.010 32.508 32.500 0.031 0.000 0.779 201 K HN 0.462 nan 8.250 nan 0.000 0.484 202 L N -0.857 120.404 121.223 0.063 0.000 2.083 202 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 202 L C 2.249 179.149 176.870 0.050 0.000 1.083 202 L CA 1.611 56.438 54.840 -0.022 0.000 0.752 202 L CB -0.366 41.574 42.059 -0.198 0.000 0.899 202 L HN 0.332 nan 8.230 nan 0.000 0.433 203 G N -1.597 107.346 108.800 0.239 0.000 2.510 203 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.212 203 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.212 203 G C 0.680 175.683 174.900 0.172 0.000 1.151 203 G CA -0.013 45.269 45.100 0.303 0.000 0.817 203 G HN 0.220 nan 8.290 nan 0.000 0.534 204 N N 0.512 119.296 118.700 0.140 0.000 2.851 204 N HA 0.263 5.003 4.740 -0.000 0.000 0.248 204 N C -1.754 173.791 175.510 0.058 0.000 1.221 204 N CA -1.971 51.127 53.050 0.081 0.000 0.847 204 N CB 2.058 40.588 38.487 0.071 0.000 1.150 204 N HN -0.087 nan 8.380 nan 0.000 0.507 205 P HA -0.158 nan 4.420 nan 0.000 0.216 205 P C 1.453 178.765 177.300 0.020 0.000 1.153 205 P CA 0.730 63.844 63.100 0.024 0.000 0.858 205 P CB 0.673 32.380 31.700 0.012 0.000 0.789 206 L N -0.810 120.425 121.223 0.020 0.000 2.179 206 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 206 L C 2.209 179.091 176.870 0.020 0.000 1.096 206 L CA 1.889 56.740 54.840 0.017 0.000 0.779 206 L CB -0.950 41.119 42.059 0.016 0.000 0.922 206 L HN -0.054 nan 8.230 nan 0.000 0.443 207 E N -2.255 117.960 120.200 0.025 0.000 2.444 207 E HA 0.243 4.593 4.350 -0.000 0.000 0.209 207 E C 1.425 178.041 176.600 0.026 0.000 0.806 207 E CA 0.742 57.156 56.400 0.023 0.000 1.240 207 E CB 0.111 29.825 29.700 0.023 0.000 1.238 207 E HN 0.183 nan 8.360 nan 0.000 0.591 208 G N 2.614 111.435 108.800 0.035 0.000 2.685 208 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.329 208 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.329 208 G C 0.932 175.848 174.900 0.026 0.000 1.271 208 G CA 1.214 46.339 45.100 0.042 0.000 1.003 208 G HN 0.289 nan 8.290 nan 0.000 0.549 209 E N 0.713 120.926 120.200 0.022 0.000 2.265 209 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 209 E C 2.484 179.081 176.600 -0.004 0.000 0.996 209 E CA 1.415 57.817 56.400 0.004 0.000 0.832 209 E CB -0.098 29.608 29.700 0.011 0.000 0.756 209 E HN 0.592 nan 8.360 nan 0.000 0.491 210 K N 0.347 120.750 120.400 0.005 0.000 2.147 210 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 210 K C 1.234 177.831 176.600 -0.004 0.000 1.049 210 K CA 1.291 57.578 56.287 0.001 0.000 0.936 210 K CB 0.009 32.514 32.500 0.008 0.000 0.722 210 K HN 0.055 nan 8.250 nan 0.000 0.446 211 D N -0.036 120.365 120.400 0.002 0.000 2.277 211 D HA -0.107 4.532 4.640 -0.000 0.000 0.208 211 D C 1.679 177.973 176.300 -0.009 0.000 0.962 211 D CA 0.461 54.464 54.000 0.004 0.000 0.865 211 D CB 0.223 41.035 40.800 0.019 0.000 0.939 211 D HN 0.052 nan 8.370 nan 0.000 0.510 212 V N -0.256 119.643 119.914 -0.025 0.000 2.591 212 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 212 V C 2.042 178.089 176.094 -0.078 0.000 1.053 212 V CA 1.641 63.907 62.300 -0.056 0.000 1.068 212 V CB -0.266 31.508 31.823 -0.082 0.000 0.689 212 V HN 0.096 nan 8.190 nan 0.000 0.462 213 A N 0.803 123.584 122.820 -0.064 0.000 1.908 213 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 213 A C 2.377 179.927 177.584 -0.057 0.000 1.181 213 A CA 2.186 54.182 52.037 -0.068 0.000 0.627 213 A CB -0.633 18.340 19.000 -0.046 0.000 0.818 213 A HN 0.631 nan 8.150 nan 0.000 0.445 214 R N -1.207 119.273 120.500 -0.035 0.000 2.066 214 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 214 R C 2.493 178.780 176.300 -0.022 0.000 1.131 214 R CA 1.113 57.199 56.100 -0.022 0.000 0.955 214 R CB -0.741 29.555 30.300 -0.007 0.000 0.851 214 R HN 0.526 nan 8.270 nan 0.000 0.432 215 G N 0.592 109.381 108.800 -0.018 0.000 2.442 215 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.219 215 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.219 215 G C 1.459 176.344 174.900 -0.026 0.000 1.141 215 G CA 0.957 46.054 45.100 -0.005 0.000 0.763 215 G HN 0.346 nan 8.290 nan 0.000 0.554 216 C N 0.168 119.423 119.300 -0.075 0.000 2.432 216 C HA 0.234 4.694 4.460 -0.000 0.000 0.280 216 C C 2.867 177.800 174.990 -0.095 0.000 1.353 216 C CA 0.857 59.806 59.018 -0.115 0.000 1.766 216 C CB -0.656 26.974 27.740 -0.183 0.000 1.924 216 C HN 0.526 nan 8.230 nan 0.000 0.509 217 G N -0.488 108.269 108.800 -0.072 0.000 2.944 217 G HA2 0.056 4.016 3.960 -0.000 0.000 0.223 217 G HA3 0.056 4.016 3.960 -0.000 0.000 0.223 217 G C 1.448 176.326 174.900 -0.038 0.000 1.071 217 G CA 0.418 45.480 45.100 -0.063 0.000 0.806 217 G HN 0.679 nan 8.290 nan 0.000 0.538 218 Q N 0.357 120.142 119.800 -0.024 0.000 2.049 218 Q HA 0.180 4.520 4.340 -0.000 0.000 0.198 218 Q C 1.560 177.556 176.000 -0.006 0.000 0.971 218 Q CA 1.061 56.857 55.803 -0.012 0.000 0.833 218 Q CB -0.375 28.362 28.738 -0.003 0.000 0.896 218 Q HN 0.205 nan 8.270 nan 0.000 0.434 219 G N 0.809 109.608 108.800 -0.001 0.000 2.525 219 G HA2 0.291 4.251 3.960 -0.000 0.000 0.287 219 G HA3 0.291 4.251 3.960 -0.000 0.000 0.287 219 G C 1.010 175.911 174.900 0.002 0.000 1.350 219 G CA 0.126 45.229 45.100 0.006 0.000 1.039 219 G HN 0.317 nan 8.290 nan 0.000 0.513 220 V N -2.815 117.104 119.914 0.008 0.000 2.490 220 V HA 0.039 4.158 4.120 -0.000 0.000 0.250 220 V C 1.191 177.287 176.094 0.004 0.000 1.061 220 V CA 1.712 64.016 62.300 0.007 0.000 1.064 220 V CB -1.186 30.644 31.823 0.012 0.000 0.670 220 V HN 0.386 nan 8.190 nan 0.000 0.461 221 T N 2.106 116.664 114.554 0.007 0.000 2.744 221 T HA 0.503 4.853 4.350 -0.000 0.000 0.291 221 T C -0.298 174.383 174.700 -0.031 0.000 0.957 221 T CA -0.258 61.839 62.100 -0.006 0.000 1.002 221 T CB 1.150 70.030 68.868 0.019 0.000 0.919 221 T HN 0.469 nan 8.240 nan 0.000 0.468 222 K N 2.136 122.497 120.400 -0.065 0.000 2.182 222 K HA 0.710 5.030 4.320 -0.000 0.000 0.262 222 K C -0.954 175.540 176.600 -0.177 0.000 0.957 222 K CA -0.709 55.519 56.287 -0.100 0.000 0.842 222 K CB 1.857 34.306 32.500 -0.085 0.000 1.099 222 K HN 0.280 nan 8.250 nan 0.000 0.438 223 V N 4.182 123.972 119.914 -0.207 0.000 2.656 223 V HA 0.354 4.474 4.120 -0.000 0.000 0.307 223 V C -2.385 173.512 176.094 -0.327 0.000 1.051 223 V CA -2.377 59.746 62.300 -0.294 0.000 0.893 223 V CB 1.796 33.466 31.823 -0.256 0.000 0.999 223 V HN 0.662 nan 8.190 nan 0.000 0.426 224 P HA 0.155 nan 4.420 nan 0.000 0.268 224 P C -1.044 175.943 177.300 -0.523 0.000 1.205 224 P CA -0.005 62.698 63.100 -0.663 0.000 0.771 224 P CB 0.403 31.431 31.700 -1.119 0.000 0.858 225 Q N 2.860 122.350 119.800 -0.516 0.000 2.340 225 Q HA 0.527 4.867 4.340 -0.000 0.000 0.268 225 Q C -1.304 174.543 176.000 -0.255 0.000 1.031 225 Q CA -0.776 54.834 55.803 -0.322 0.000 0.804 225 Q CB 1.299 29.891 28.738 -0.243 0.000 1.286 225 Q HN 0.387 nan 8.270 nan 0.000 0.448 226 M N 5.381 124.891 119.600 -0.150 0.000 2.113 226 M HA 0.415 4.895 4.480 -0.000 0.000 0.352 226 M C -1.383 174.830 176.300 -0.144 0.000 1.170 226 M CA -0.553 54.675 55.300 -0.120 0.000 1.053 226 M CB 0.711 33.165 32.600 -0.244 0.000 1.601 226 M HN 0.668 nan 8.290 nan 0.000 0.459 227 I N 3.372 123.868 120.570 -0.124 0.000 2.342 227 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 227 I C 0.348 176.274 176.117 -0.317 0.000 1.010 227 I CA -0.237 60.986 61.300 -0.129 0.000 1.308 227 I CB 1.685 39.711 38.000 0.043 0.000 1.400 227 I HN 0.631 nan 8.210 nan 0.000 0.488 228 S N 3.465 119.039 115.700 -0.210 0.000 2.565 228 S HA 0.107 4.577 4.470 -0.000 0.000 0.276 228 S C 1.289 175.791 174.600 -0.162 0.000 1.326 228 S CA -0.384 57.688 58.200 -0.212 0.000 1.045 228 S CB 1.078 64.244 63.200 -0.057 0.000 0.918 228 S HN 0.723 nan 8.310 nan 0.000 0.505 229 T N 4.100 118.557 114.554 -0.162 0.000 2.833 229 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 229 T C 1.335 176.222 174.700 0.313 0.000 1.054 229 T CA 1.482 63.656 62.100 0.124 0.000 1.135 229 T CB -0.291 68.685 68.868 0.179 0.000 0.869 229 T HN 0.737 nan 8.240 nan 0.000 0.466 230 A N 0.743 123.743 122.820 0.300 0.000 2.411 230 A HA 0.699 5.019 4.320 -0.000 0.000 0.251 230 A C 0.941 178.625 177.584 0.167 0.000 1.317 230 A CA -0.229 51.971 52.037 0.273 0.000 0.904 230 A CB -0.491 18.702 19.000 0.322 0.000 0.993 230 A HN 0.455 nan 8.150 nan 0.000 0.504 231 A N 0.247 123.147 122.820 0.133 0.000 2.498 231 A HA 0.400 4.719 4.320 -0.000 0.000 0.239 231 A C 1.632 179.268 177.584 0.086 0.000 1.068 231 A CA 0.469 52.563 52.037 0.095 0.000 0.766 231 A CB 0.189 19.236 19.000 0.078 0.000 1.003 231 A HN 1.095 nan 8.150 nan 0.000 0.497 232 S N 1.129 116.868 115.700 0.066 0.000 2.414 232 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 232 S C 0.879 175.505 174.600 0.042 0.000 1.022 232 S CA 0.944 59.169 58.200 0.043 0.000 0.958 232 S CB -0.711 62.507 63.200 0.031 0.000 0.797 232 S HN 0.767 nan 8.310 nan 0.000 0.493 233 C N 3.223 122.552 119.300 0.048 0.000 2.480 233 C HA 0.730 5.190 4.460 -0.000 0.000 0.358 233 C C 1.166 176.194 174.990 0.063 0.000 1.309 233 C CA -0.660 58.386 59.018 0.046 0.000 2.465 233 C CB 0.720 28.483 27.740 0.038 0.000 2.379 233 C HN 0.707 nan 8.230 nan 0.000 0.642 234 S N 1.274 117.008 115.700 0.057 0.000 2.601 234 S HA 0.253 4.723 4.470 -0.000 0.000 0.271 234 S C -1.898 172.747 174.600 0.075 0.000 1.305 234 S CA -0.656 57.584 58.200 0.067 0.000 1.022 234 S CB 0.623 63.851 63.200 0.046 0.000 0.940 234 S HN 0.583 nan 8.310 nan 0.000 0.525 235 P HA -0.199 nan 4.420 nan 0.000 0.215 235 P C 1.582 178.907 177.300 0.042 0.000 1.157 235 P CA 1.523 64.677 63.100 0.090 0.000 0.874 235 P CB -0.096 31.623 31.700 0.032 0.000 0.790 236 E N 0.703 120.915 120.200 0.021 0.000 2.058 236 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 236 E C 1.931 178.539 176.600 0.013 0.000 0.997 236 E CA 1.329 57.735 56.400 0.009 0.000 0.801 236 E CB -1.237 28.465 29.700 0.003 0.000 0.746 236 E HN 0.386 nan 8.360 nan 0.000 0.450 237 E N 0.610 120.822 120.200 0.020 0.000 2.070 237 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 237 E C 2.298 178.907 176.600 0.016 0.000 1.004 237 E CA 1.417 57.828 56.400 0.017 0.000 0.805 237 E CB -0.218 29.496 29.700 0.022 0.000 0.744 237 E HN 0.296 nan 8.360 nan 0.000 0.451 238 I N 0.728 121.312 120.570 0.023 0.000 2.353 238 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 238 I C 2.237 178.357 176.117 0.006 0.000 1.119 238 I CA 0.662 61.972 61.300 0.017 0.000 1.417 238 I CB -0.086 37.934 38.000 0.032 0.000 1.078 238 I HN 0.128 nan 8.210 nan 0.000 0.421 239 I N 0.377 120.953 120.570 0.011 0.000 2.233 239 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 239 I C 2.519 178.633 176.117 -0.006 0.000 1.093 239 I CA 1.404 62.704 61.300 0.000 0.000 1.380 239 I CB -0.759 37.243 38.000 0.004 0.000 1.067 239 I HN 0.281 nan 8.210 nan 0.000 0.413 240 E N 1.553 121.752 120.200 -0.002 0.000 2.097 240 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 240 E C 2.209 178.805 176.600 -0.006 0.000 1.000 240 E CA 1.834 58.232 56.400 -0.004 0.000 0.804 240 E CB -0.056 29.643 29.700 -0.000 0.000 0.740 240 E HN 0.452 nan 8.360 nan 0.000 0.454 241 A N 0.738 123.555 122.820 -0.005 0.000 2.019 241 A HA 0.095 4.415 4.320 -0.000 0.000 0.219 241 A C 1.393 178.969 177.584 -0.015 0.000 1.164 241 A CA 0.870 52.903 52.037 -0.007 0.000 0.644 241 A CB -0.667 18.330 19.000 -0.004 0.000 0.805 241 A HN 0.360 nan 8.150 nan 0.000 0.449 242 A N 1.109 123.917 122.820 -0.021 0.000 2.540 242 A HA 0.361 4.681 4.320 -0.000 0.000 0.264 242 A C -0.681 176.887 177.584 -0.026 0.000 1.080 242 A CA -0.381 51.637 52.037 -0.032 0.000 0.776 242 A CB -0.119 18.857 19.000 -0.041 0.000 1.011 242 A HN 0.366 nan 8.150 nan 0.000 0.514 243 P HA -0.008 nan 4.420 nan 0.000 0.234 243 P C 0.286 177.573 177.300 -0.021 0.000 1.167 243 P CA 0.891 63.979 63.100 -0.019 0.000 0.763 243 P CB 0.295 31.985 31.700 -0.016 0.000 0.835 244 S N -0.392 115.290 115.700 -0.029 0.000 2.571 244 S HA 0.302 4.772 4.470 -0.000 0.000 0.284 244 S C 0.527 175.109 174.600 -0.032 0.000 1.128 244 S CA -0.584 57.599 58.200 -0.029 0.000 0.970 244 S CB 1.112 64.292 63.200 -0.033 0.000 1.039 244 S HN -0.304 nan 8.310 nan 0.000 0.485 245 D N 3.116 123.502 120.400 -0.024 0.000 2.182 245 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 245 D C 1.124 177.409 176.300 -0.025 0.000 0.986 245 D CA 1.259 55.246 54.000 -0.022 0.000 0.847 245 D CB 0.176 40.967 40.800 -0.015 0.000 0.942 245 D HN 0.559 nan 8.370 nan 0.000 0.467 246 K N 0.303 120.688 120.400 -0.026 0.000 2.444 246 K HA 0.018 4.338 4.320 -0.000 0.000 0.193 246 K C 0.672 177.245 176.600 -0.044 0.000 1.024 246 K CA -0.147 56.126 56.287 -0.023 0.000 1.077 246 K CB 0.243 32.735 32.500 -0.012 0.000 0.833 246 K HN 0.299 nan 8.250 nan 0.000 0.517 247 Q N 0.997 120.757 119.800 -0.065 0.000 2.243 247 Q HA 0.245 4.585 4.340 -0.000 0.000 0.252 247 Q C -0.852 175.060 176.000 -0.147 0.000 0.909 247 Q CA -0.557 55.180 55.803 -0.109 0.000 0.922 247 Q CB 1.026 29.701 28.738 -0.104 0.000 1.215 247 Q HN -0.070 nan 8.270 nan 0.000 0.427 248 I N 3.085 123.511 120.570 -0.239 0.000 2.315 248 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 248 I C -0.232 175.613 176.117 -0.453 0.000 1.006 248 I CA 0.109 61.201 61.300 -0.346 0.000 1.265 248 I CB 1.510 39.228 38.000 -0.470 0.000 1.387 248 I HN 0.645 nan 8.210 nan 0.000 0.475 249 Q N 5.322 124.939 119.800 -0.305 0.000 2.316 249 Q HA 0.441 4.781 4.340 -0.000 0.000 0.264 249 Q C -1.416 174.539 176.000 -0.074 0.000 0.987 249 Q CA -0.657 55.008 55.803 -0.231 0.000 0.852 249 Q CB 2.355 31.041 28.738 -0.087 0.000 1.287 249 Q HN 0.468 nan 8.270 nan 0.000 0.448 250 W N 1.313 122.594 121.300 -0.032 0.000 2.719 250 W HA 0.372 5.032 4.660 -0.000 0.000 0.352 250 W C -0.765 175.791 176.519 0.061 0.000 1.085 250 W CA -1.086 56.276 57.345 0.028 0.000 1.187 250 W CB 0.884 30.314 29.460 -0.049 0.000 1.417 250 W HN 0.538 nan 8.180 nan 0.000 0.557 251 Y N 2.044 122.504 120.300 0.267 0.000 2.364 251 Y HA 0.237 4.786 4.550 -0.000 0.000 0.340 251 Y C 0.115 176.075 175.900 0.100 0.000 0.975 251 Y CA -0.609 57.565 58.100 0.123 0.000 1.089 251 Y CB 1.326 39.833 38.460 0.079 0.000 1.192 251 Y HN 0.227 nan 8.280 nan 0.000 0.454 252 Q N 6.239 125.601 119.800 -0.730 0.000 2.278 252 Q HA 0.346 4.686 4.340 -0.000 0.000 0.257 252 Q C -2.062 173.586 176.000 -0.588 0.000 0.928 252 Q CA -0.760 54.740 55.803 -0.506 0.000 0.932 252 Q CB 1.572 30.030 28.738 -0.466 0.000 1.221 252 Q HN 0.806 nan 8.270 nan 0.000 0.434 253 L N 5.062 126.126 121.223 -0.264 0.000 2.341 253 L HA 0.445 4.784 4.340 -0.000 0.000 0.278 253 L C -1.845 174.906 176.870 -0.197 0.000 1.005 253 L CA -0.465 54.316 54.840 -0.099 0.000 0.818 253 L CB 1.285 43.384 42.059 0.067 0.000 1.259 253 L HN 0.491 nan 8.230 nan 0.000 0.418 254 Y N 4.135 124.396 120.300 -0.065 0.000 2.328 254 Y HA 0.464 5.013 4.550 -0.000 0.000 0.337 254 Y C -0.044 175.756 175.900 -0.167 0.000 0.966 254 Y CA -0.779 57.251 58.100 -0.117 0.000 1.136 254 Y CB 1.905 40.258 38.460 -0.178 0.000 1.170 254 Y HN 0.446 nan 8.280 nan 0.000 0.470 255 V N 4.280 124.221 119.914 0.046 0.000 2.488 255 V HA 0.332 4.452 4.120 -0.000 0.000 0.277 255 V C 0.006 176.054 176.094 -0.077 0.000 1.046 255 V CA -0.487 61.797 62.300 -0.026 0.000 0.986 255 V CB 0.517 32.328 31.823 -0.020 0.000 0.989 255 V HN 0.883 nan 8.190 nan 0.000 0.475 256 N N 4.399 123.030 118.700 -0.114 0.000 2.482 256 N HA 0.197 4.937 4.740 -0.000 0.000 0.260 256 N C 1.276 176.754 175.510 -0.053 0.000 1.236 256 N CA 0.479 53.456 53.050 -0.122 0.000 0.938 256 N CB 1.328 39.747 38.487 -0.115 0.000 1.128 256 N HN 0.813 nan 8.380 nan 0.000 0.448 257 S N 0.090 115.772 115.700 -0.030 0.000 2.382 257 S HA -0.148 4.321 4.470 -0.000 0.000 0.228 257 S C 0.194 174.791 174.600 -0.006 0.000 1.027 257 S CA 0.887 59.081 58.200 -0.011 0.000 0.991 257 S CB -0.156 63.045 63.200 0.003 0.000 0.823 257 S HN 0.669 nan 8.310 nan 0.000 0.469 258 D N 1.253 121.651 120.400 -0.003 0.000 2.393 258 D HA 0.118 4.757 4.640 -0.000 0.000 0.232 258 D C 0.886 177.181 176.300 -0.008 0.000 1.192 258 D CA -0.250 53.751 54.000 0.001 0.000 0.882 258 D CB 0.358 41.165 40.800 0.013 0.000 1.038 258 D HN -0.066 nan 8.370 nan 0.000 0.499 259 R N 3.115 123.611 120.500 -0.008 0.000 2.235 259 R HA -0.040 4.300 4.340 -0.000 0.000 0.213 259 R C 1.691 177.986 176.300 -0.009 0.000 1.059 259 R CA 0.191 56.285 56.100 -0.011 0.000 0.997 259 R CB -0.009 30.286 30.300 -0.009 0.000 0.884 259 R HN 0.460 nan 8.270 nan 0.000 0.462 260 K N 1.005 121.403 120.400 -0.004 0.000 2.057 260 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 260 K C 2.099 178.698 176.600 -0.003 0.000 1.050 260 K CA 0.923 57.209 56.287 -0.002 0.000 0.935 260 K CB -0.085 32.416 32.500 0.002 0.000 0.715 260 K HN 0.103 nan 8.250 nan 0.000 0.439 261 I N 0.551 121.120 120.570 -0.000 0.000 2.127 261 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 261 I C 2.201 178.313 176.117 -0.008 0.000 1.075 261 I CA 1.505 62.806 61.300 0.002 0.000 1.334 261 I CB -0.445 37.561 38.000 0.011 0.000 1.040 261 I HN 0.164 nan 8.210 nan 0.000 0.405 262 T N -0.405 114.138 114.554 -0.019 0.000 2.720 262 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 262 T C 1.527 176.218 174.700 -0.015 0.000 1.037 262 T CA 1.962 64.051 62.100 -0.018 0.000 1.144 262 T CB -0.390 68.464 68.868 -0.023 0.000 0.864 262 T HN 0.395 nan 8.240 nan 0.000 0.444 263 D N 0.817 121.209 120.400 -0.014 0.000 2.097 263 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 263 D C 1.884 178.172 176.300 -0.021 0.000 0.989 263 D CA 1.072 55.063 54.000 -0.015 0.000 0.827 263 D CB -0.098 40.696 40.800 -0.011 0.000 0.966 263 D HN 0.209 nan 8.370 nan 0.000 0.456 264 D N 0.121 120.511 120.400 -0.017 0.000 2.123 264 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 264 D C 2.232 178.509 176.300 -0.038 0.000 0.992 264 D CA 0.378 54.365 54.000 -0.021 0.000 0.833 264 D CB -0.409 40.384 40.800 -0.011 0.000 0.954 264 D HN 0.283 nan 8.370 nan 0.000 0.455 265 L N 0.722 121.922 121.223 -0.039 0.000 2.012 265 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 265 L C 2.407 179.200 176.870 -0.128 0.000 1.073 265 L CA 1.058 55.854 54.840 -0.073 0.000 0.748 265 L CB -0.165 41.877 42.059 -0.029 0.000 0.891 265 L HN -0.055 nan 8.230 nan 0.000 0.431 266 V N -0.163 119.704 119.914 -0.079 0.000 2.407 266 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 266 V C 2.443 178.489 176.094 -0.080 0.000 1.055 266 V CA 1.737 63.990 62.300 -0.077 0.000 1.049 266 V CB -0.499 31.304 31.823 -0.033 0.000 0.662 266 V HN 0.432 nan 8.190 nan 0.000 0.455 267 K N 0.007 120.369 120.400 -0.062 0.000 2.057 267 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 267 K C 2.141 178.702 176.600 -0.064 0.000 1.050 267 K CA 1.583 57.840 56.287 -0.051 0.000 0.935 267 K CB -0.315 32.164 32.500 -0.035 0.000 0.715 267 K HN 0.565 nan 8.250 nan 0.000 0.439 268 N N 0.771 119.422 118.700 -0.082 0.000 2.084 268 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 268 N C 1.899 177.334 175.510 -0.125 0.000 1.030 268 N CA 1.651 54.646 53.050 -0.091 0.000 0.849 268 N CB 0.162 38.594 38.487 -0.092 0.000 1.012 268 N HN 0.057 nan 8.380 nan 0.000 0.423 269 V N -1.429 118.361 119.914 -0.205 0.000 2.548 269 V HA -0.053 4.067 4.120 -0.000 0.000 0.249 269 V C 2.105 178.129 176.094 -0.117 0.000 1.055 269 V CA 1.608 63.762 62.300 -0.243 0.000 1.065 269 V CB -0.835 30.650 31.823 -0.562 0.000 0.681 269 V HN 0.279 nan 8.190 nan 0.000 0.462 270 E N 1.048 121.195 120.200 -0.087 0.000 2.058 270 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 270 E C 2.186 178.768 176.600 -0.030 0.000 0.997 270 E CA 1.774 58.151 56.400 -0.039 0.000 0.801 270 E CB -0.121 29.559 29.700 -0.033 0.000 0.746 270 E HN 0.575 nan 8.360 nan 0.000 0.450 271 K N 0.781 121.157 120.400 -0.040 0.000 2.097 271 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 271 K C 1.886 178.469 176.600 -0.028 0.000 1.050 271 K CA 1.131 57.400 56.287 -0.029 0.000 0.938 271 K CB -0.406 32.075 32.500 -0.031 0.000 0.718 271 K HN 0.206 nan 8.250 nan 0.000 0.442 272 L N -0.518 120.682 121.223 -0.039 0.000 2.549 272 L HA 0.045 4.384 4.340 -0.000 0.000 0.229 272 L C 1.058 177.918 176.870 -0.016 0.000 1.158 272 L CA 0.764 55.586 54.840 -0.031 0.000 0.842 272 L CB -0.380 41.652 42.059 -0.044 0.000 0.952 272 L HN 0.627 nan 8.230 nan 0.000 0.452 273 G N 0.051 108.845 108.800 -0.011 0.000 2.132 273 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.234 273 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.234 273 G C 0.381 175.297 174.900 0.026 0.000 0.989 273 G CA 0.105 45.209 45.100 0.006 0.000 0.676 273 G HN 0.249 nan 8.290 nan 0.000 0.522 274 V N -2.182 117.756 119.914 0.039 0.000 3.178 274 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 274 V C 1.260 177.434 176.094 0.133 0.000 1.107 274 V CA 1.182 63.543 62.300 0.102 0.000 1.195 274 V CB 1.039 32.956 31.823 0.158 0.000 0.993 274 V HN 0.231 nan 8.190 nan 0.000 0.493 275 K N 1.847 122.388 120.400 0.236 0.000 2.358 275 K HA 0.681 5.001 4.320 -0.000 0.000 0.200 275 K C 0.166 176.928 176.600 0.270 0.000 1.030 275 K CA 0.717 57.156 56.287 0.254 0.000 1.097 275 K CB 0.967 33.617 32.500 0.251 0.000 0.862 275 K HN 1.102 nan 8.250 nan 0.000 0.534 276 A N 0.417 123.402 122.820 0.275 0.000 2.586 276 A HA 0.516 4.836 4.320 -0.000 0.000 0.291 276 A C -1.972 175.631 177.584 0.031 0.000 1.062 276 A CA -0.799 51.240 52.037 0.003 0.000 0.666 276 A CB 0.849 19.645 19.000 -0.340 0.000 1.281 276 A HN 0.066 nan 8.150 nan 0.000 0.421 277 L N 0.990 122.133 121.223 -0.133 0.000 2.305 277 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 277 L C -1.408 175.294 176.870 -0.281 0.000 1.013 277 L CA -0.253 54.557 54.840 -0.051 0.000 0.819 277 L CB 1.236 43.280 42.059 -0.026 0.000 1.227 277 L HN 0.623 nan 8.230 nan 0.000 0.417 278 F N 3.263 123.088 119.950 -0.208 0.000 2.350 278 F HA 0.309 4.836 4.527 -0.000 0.000 0.365 278 F C 0.221 175.899 175.800 -0.204 0.000 1.122 278 F CA -0.661 57.187 58.000 -0.254 0.000 1.139 278 F CB 1.171 39.978 39.000 -0.322 0.000 1.220 278 F HN 0.035 nan 8.300 nan 0.000 0.499 279 V N 3.127 122.992 119.914 -0.081 0.000 2.385 279 V HA 0.209 4.329 4.120 -0.000 0.000 0.269 279 V C 0.330 176.380 176.094 -0.074 0.000 1.043 279 V CA -0.578 61.674 62.300 -0.080 0.000 0.906 279 V CB 0.801 32.574 31.823 -0.084 0.000 0.995 279 V HN 0.673 nan 8.190 nan 0.000 0.467 280 T N 4.713 119.205 114.554 -0.103 0.000 2.749 280 T HA 0.275 4.625 4.350 -0.000 0.000 0.295 280 T C 0.874 175.610 174.700 0.059 0.000 0.936 280 T CA -0.125 61.946 62.100 -0.047 0.000 1.060 280 T CB 1.218 69.971 68.868 -0.192 0.000 0.904 280 T HN 0.744 nan 8.240 nan 0.000 0.500 281 V N 0.170 120.109 119.914 0.043 0.000 3.477 281 V HA 0.245 4.364 4.120 -0.000 0.000 0.297 281 V C 0.966 177.080 176.094 0.033 0.000 1.433 281 V CA -0.114 62.186 62.300 0.001 0.000 1.052 281 V CB 0.051 31.809 31.823 -0.108 0.000 0.895 281 V HN 0.750 nan 8.190 nan 0.000 0.438 282 D N 1.267 121.728 120.400 0.102 0.000 2.427 282 D HA 0.462 5.102 4.640 -0.000 0.000 0.224 282 D C 0.741 177.077 176.300 0.059 0.000 1.157 282 D CA 0.562 54.617 54.000 0.091 0.000 0.828 282 D CB 0.648 41.525 40.800 0.129 0.000 0.974 282 D HN 0.558 nan 8.370 nan 0.000 0.498 283 A N 1.199 124.059 122.820 0.067 0.000 3.045 283 A HA 0.341 4.661 4.320 -0.000 0.000 0.244 283 A C -1.647 175.924 177.584 -0.020 0.000 0.917 283 A CA -0.660 51.369 52.037 -0.013 0.000 1.075 283 A CB 0.624 19.601 19.000 -0.039 0.000 1.202 283 A HN 0.033 nan 8.150 nan 0.000 0.486 284 P HA -0.053 nan 4.420 nan 0.000 0.217 284 P C 0.802 178.081 177.300 -0.035 0.000 1.150 284 P CA 1.151 64.237 63.100 -0.023 0.000 0.832 284 P CB 0.338 32.028 31.700 -0.017 0.000 0.787 285 S N -0.680 114.998 115.700 -0.036 0.000 2.537 285 S HA 0.464 4.934 4.470 -0.000 0.000 0.301 285 S C -0.652 173.911 174.600 -0.060 0.000 1.092 285 S CA -0.843 57.334 58.200 -0.038 0.000 1.048 285 S CB 0.365 63.551 63.200 -0.022 0.000 1.053 285 S HN -0.081 nan 8.310 nan 0.000 0.501 286 L N 4.776 125.962 121.223 -0.060 0.000 2.313 286 L HA 0.547 4.886 4.340 -0.000 0.000 0.282 286 L C 0.870 177.699 176.870 -0.069 0.000 1.092 286 L CA 0.265 55.058 54.840 -0.079 0.000 0.831 286 L CB 0.142 42.164 42.059 -0.061 0.000 1.159 286 L HN 0.762 nan 8.230 nan 0.000 0.442 287 G N 4.188 112.929 108.800 -0.099 0.000 2.353 287 G HA2 0.005 3.965 3.960 -0.000 0.000 0.239 287 G HA3 0.005 3.965 3.960 -0.000 0.000 0.239 287 G C -0.234 174.635 174.900 -0.051 0.000 1.295 287 G CA -0.380 44.675 45.100 -0.076 0.000 0.884 287 G HN 0.723 nan 8.290 nan 0.000 0.537 288 Q N 1.394 121.178 119.800 -0.025 0.000 2.369 288 Q HA 0.103 4.443 4.340 -0.000 0.000 0.247 288 Q C 0.126 176.117 176.000 -0.015 0.000 1.083 288 Q CA 0.005 55.803 55.803 -0.008 0.000 0.905 288 Q CB 0.484 29.230 28.738 0.013 0.000 1.305 288 Q HN 0.444 nan 8.270 nan 0.000 0.465 289 R N 2.975 123.458 120.500 -0.028 0.000 2.391 289 R HA 0.099 4.439 4.340 -0.000 0.000 0.310 289 R C 0.415 176.700 176.300 -0.024 0.000 1.174 289 R CA -0.131 55.942 56.100 -0.045 0.000 1.118 289 R CB 0.519 30.771 30.300 -0.080 0.000 1.134 289 R HN 0.624 nan 8.270 nan 0.000 0.524 290 E N 1.582 121.780 120.200 -0.004 0.000 2.268 290 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 290 E C 1.000 177.609 176.600 0.016 0.000 0.995 290 E CA 1.045 57.459 56.400 0.024 0.000 0.836 290 E CB 0.215 29.941 29.700 0.044 0.000 0.763 290 E HN 0.366 nan 8.360 nan 0.000 0.491 291 K N 0.828 121.223 120.400 -0.007 0.000 2.097 291 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 291 K C 1.727 178.314 176.600 -0.022 0.000 1.049 291 K CA 1.293 57.574 56.287 -0.009 0.000 0.933 291 K CB 0.050 32.527 32.500 -0.037 0.000 0.717 291 K HN 0.112 nan 8.250 nan 0.000 0.442 292 D N 0.634 121.011 120.400 -0.038 0.000 2.084 292 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 292 D C 1.925 178.160 176.300 -0.109 0.000 0.990 292 D CA 1.376 55.347 54.000 -0.048 0.000 0.826 292 D CB -0.021 40.766 40.800 -0.021 0.000 0.971 292 D HN 0.222 nan 8.370 nan 0.000 0.453 293 M N 0.506 120.041 119.600 -0.109 0.000 2.159 293 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 293 M C 2.084 178.213 176.300 -0.286 0.000 1.063 293 M CA 0.997 56.157 55.300 -0.234 0.000 1.110 293 M CB -0.165 32.428 32.600 -0.011 0.000 1.374 293 M HN -0.210 nan 8.290 nan 0.000 0.411 294 K N 0.683 121.055 120.400 -0.048 0.000 2.360 294 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 294 K C 1.646 178.238 176.600 -0.012 0.000 1.046 294 K CA 0.992 57.306 56.287 0.046 0.000 0.945 294 K CB -0.049 32.491 32.500 0.067 0.000 0.750 294 K HN 0.252 nan 8.250 nan 0.000 0.464 295 L N 0.585 121.751 121.223 -0.096 0.000 2.121 295 L HA -0.029 4.311 4.340 -0.000 0.000 0.200 295 L C 2.101 178.879 176.870 -0.154 0.000 1.077 295 L CA 1.409 56.198 54.840 -0.084 0.000 0.766 295 L CB -0.405 41.613 42.059 -0.068 0.000 0.931 295 L HN -0.097 nan 8.230 nan 0.000 0.452 296 K N -0.257 119.962 120.400 -0.302 0.000 2.071 296 K HA -0.202 4.118 4.320 -0.000 0.000 0.217 296 K C 0.079 176.493 176.600 -0.310 0.000 1.054 296 K CA 1.779 57.837 56.287 -0.380 0.000 0.937 296 K CB -0.509 31.651 32.500 -0.567 0.000 0.719 296 K HN 0.115 nan 8.250 nan 0.000 0.454 297 F N -0.100 119.852 119.950 0.003 0.000 2.424 297 F HA 0.422 4.948 4.527 -0.000 0.000 0.356 297 F C 0.814 176.617 175.800 0.006 0.000 1.110 297 F CA -0.289 57.714 58.000 0.004 0.000 1.161 297 F CB 0.260 39.263 39.000 0.004 0.000 1.115 297 F HN 0.217 nan 8.300 nan 0.000 0.507 298 S N 1.206 117.000 115.700 0.157 0.000 4.051 298 S HA 0.295 4.765 4.470 -0.000 0.000 0.447 298 S C -0.155 174.472 174.600 0.046 0.000 0.867 298 S CA 0.462 58.717 58.200 0.092 0.000 1.246 298 S CB -2.141 nan 63.200 nan 0.000 0.825 298 S HN 2.275 nan 8.310 nan 0.000 0.579 299 N N -2.085 116.631 118.700 0.026 0.000 4.844 299 N HA 1.046 5.786 4.740 -0.000 0.000 0.209 299 N C -0.161 175.342 175.510 -0.011 0.000 1.196 299 N CA 1.096 54.145 53.050 -0.001 0.000 0.770 299 N CB -0.474 nan 38.487 nan 0.000 1.559 299 N HN 2.780 nan 8.380 nan 0.000 0.471 322 L N 1.440 122.659 121.223 -0.008 0.000 2.350 322 L HA 0.645 4.985 4.340 -0.000 0.000 0.275 322 L C 0.392 177.262 176.870 -0.001 0.000 1.099 322 L CA -0.195 54.641 54.840 -0.007 0.000 0.808 322 L CB 1.594 43.652 42.059 -0.002 0.000 1.149 322 L HN 0.330 nan 8.230 nan 0.000 0.442 323 S N 1.080 116.783 115.700 0.005 0.000 2.599 323 S HA 0.336 4.805 4.470 -0.000 0.000 0.287 323 S C 0.391 175.020 174.600 0.050 0.000 1.105 323 S CA -0.693 57.525 58.200 0.030 0.000 0.899 323 S CB 2.038 65.265 63.200 0.045 0.000 1.100 323 S HN 0.635 nan 8.310 nan 0.000 0.482 324 K N 1.265 121.708 120.400 0.071 0.000 2.296 324 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 324 K C 1.423 178.084 176.600 0.102 0.000 1.048 324 K CA 0.777 57.105 56.287 0.069 0.000 0.966 324 K CB -0.196 32.342 32.500 0.064 0.000 0.754 324 K HN 0.642 nan 8.250 nan 0.000 0.466 325 F N 0.743 120.672 119.950 -0.034 0.000 2.134 325 F HA 0.013 4.539 4.527 -0.000 0.000 0.299 325 F C 0.252 176.021 175.800 -0.051 0.000 1.097 325 F CA 0.961 58.941 58.000 -0.033 0.000 1.264 325 F CB 0.385 39.355 39.000 -0.051 0.000 1.001 325 F HN -0.192 nan 8.300 nan 0.000 0.479 326 I N 0.987 121.548 120.570 -0.015 0.000 2.390 326 I HA 0.128 4.298 4.170 -0.000 0.000 0.283 326 I C -0.971 175.114 176.117 -0.054 0.000 1.016 326 I CA -0.794 60.431 61.300 -0.126 0.000 1.151 326 I CB 1.001 38.856 38.000 -0.241 0.000 1.293 326 I HN -0.132 nan 8.210 nan 0.000 0.458 327 D N 9.331 129.704 120.400 -0.045 0.000 2.339 327 D HA 0.141 4.781 4.640 -0.000 0.000 0.256 327 D C -1.402 174.885 176.300 -0.023 0.000 1.214 327 D CA -1.920 52.065 54.000 -0.026 0.000 0.877 327 D CB 1.174 41.959 40.800 -0.026 0.000 1.111 327 D HN 0.257 nan 8.370 nan 0.000 0.478 328 P HA -0.016 nan 4.420 nan 0.000 0.242 328 P C 0.535 177.824 177.300 -0.019 0.000 1.197 328 P CA 0.305 63.394 63.100 -0.018 0.000 0.765 328 P CB 0.454 32.147 31.700 -0.012 0.000 0.936 329 S N -0.738 114.951 115.700 -0.019 0.000 2.524 329 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 329 S C 0.944 175.526 174.600 -0.030 0.000 0.987 329 S CA -0.394 57.796 58.200 -0.017 0.000 0.909 329 S CB -0.386 62.809 63.200 -0.009 0.000 0.781 329 S HN 0.161 nan 8.310 nan 0.000 0.521 330 L N 2.813 124.010 121.223 -0.043 0.000 2.693 330 L HA -0.045 4.295 4.340 -0.000 0.000 0.292 330 L C 0.119 176.926 176.870 -0.105 0.000 1.243 330 L CA 1.045 55.843 54.840 -0.069 0.000 0.903 330 L CB 0.285 42.296 42.059 -0.080 0.000 1.160 330 L HN 0.197 nan 8.230 nan 0.000 0.496 331 T N 2.625 117.116 114.554 -0.105 0.000 2.887 331 T HA 0.184 4.533 4.350 -0.000 0.000 0.292 331 T C 0.468 175.092 174.700 -0.127 0.000 1.087 331 T CA -0.432 61.607 62.100 -0.101 0.000 1.009 331 T CB 1.062 69.938 68.868 0.012 0.000 1.203 331 T HN 0.607 nan 8.240 nan 0.000 0.518 332 W N 0.950 122.253 121.300 0.004 0.000 2.325 332 W HA -0.061 4.599 4.660 -0.000 0.000 0.299 332 W C 2.474 178.991 176.519 -0.003 0.000 1.215 332 W CA 0.662 58.007 57.345 -0.000 0.000 1.244 332 W CB 0.037 29.497 29.460 0.000 0.000 1.140 332 W HN 0.481 nan 8.180 nan 0.000 0.523 333 K N 0.386 120.911 120.400 0.208 0.000 2.057 333 K HA -0.171 4.148 4.320 -0.000 0.000 0.207 333 K C 1.401 178.042 176.600 0.070 0.000 1.049 333 K CA 1.659 58.016 56.287 0.118 0.000 0.931 333 K CB -0.655 31.895 32.500 0.083 0.000 0.714 333 K HN 0.191 nan 8.250 nan 0.000 0.440 334 D N 0.838 121.260 120.400 0.038 0.000 2.182 334 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 334 D C 1.839 178.140 176.300 0.002 0.000 0.986 334 D CA 0.809 54.812 54.000 0.006 0.000 0.847 334 D CB 0.052 40.840 40.800 -0.021 0.000 0.942 334 D HN 0.144 nan 8.370 nan 0.000 0.467 335 I N 1.125 121.699 120.570 0.007 0.000 2.353 335 I HA -0.127 4.042 4.170 -0.000 0.000 0.248 335 I C 2.323 178.462 176.117 0.037 0.000 1.119 335 I CA 0.761 62.065 61.300 0.008 0.000 1.417 335 I CB -0.999 37.001 38.000 -0.000 0.000 1.078 335 I HN 0.009 nan 8.210 nan 0.000 0.421 336 E N 0.636 120.877 120.200 0.070 0.000 2.051 336 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 336 E C 2.068 178.685 176.600 0.030 0.000 0.991 336 E CA 1.108 57.542 56.400 0.057 0.000 0.799 336 E CB 0.180 29.922 29.700 0.070 0.000 0.748 336 E HN 0.309 nan 8.360 nan 0.000 0.449 337 E N 0.677 120.892 120.200 0.025 0.000 2.077 337 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 337 E C 2.105 178.707 176.600 0.004 0.000 0.989 337 E CA 0.473 56.881 56.400 0.013 0.000 0.800 337 E CB -0.395 29.312 29.700 0.012 0.000 0.746 337 E HN 0.287 nan 8.360 nan 0.000 0.452 338 L N 1.498 122.721 121.223 0.000 0.000 2.079 338 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 338 L C 2.263 179.126 176.870 -0.011 0.000 1.081 338 L CA 1.857 56.692 54.840 -0.009 0.000 0.752 338 L CB -0.342 41.707 42.059 -0.017 0.000 0.896 338 L HN 0.183 nan 8.230 nan 0.000 0.433 339 K N -0.518 119.877 120.400 -0.007 0.000 2.432 339 K HA -0.116 4.204 4.320 -0.000 0.000 0.196 339 K C 1.545 178.140 176.600 -0.009 0.000 1.038 339 K CA 0.704 56.984 56.287 -0.012 0.000 0.986 339 K CB -0.030 32.464 32.500 -0.010 0.000 0.782 339 K HN 0.276 nan 8.250 nan 0.000 0.485 340 K N 0.366 120.763 120.400 -0.004 0.000 2.459 340 K HA 0.036 4.356 4.320 -0.000 0.000 0.193 340 K C 0.856 177.453 176.600 -0.006 0.000 1.030 340 K CA 0.454 56.739 56.287 -0.004 0.000 1.026 340 K CB 0.305 32.805 32.500 0.000 0.000 0.809 340 K HN -0.028 nan 8.250 nan 0.000 0.504 341 K N 0.381 120.776 120.400 -0.008 0.000 2.358 341 K HA 0.119 4.439 4.320 -0.000 0.000 0.200 341 K C -0.365 176.228 176.600 -0.013 0.000 1.030 341 K CA 0.165 56.447 56.287 -0.010 0.000 1.097 341 K CB 1.318 33.812 32.500 -0.010 0.000 0.862 341 K HN -0.064 nan 8.250 nan 0.000 0.534 342 T N -0.839 113.707 114.554 -0.014 0.000 2.957 342 T HA 0.228 4.578 4.350 -0.000 0.000 0.336 342 T C -0.773 173.918 174.700 -0.015 0.000 1.462 342 T CA -0.746 61.345 62.100 -0.016 0.000 1.073 342 T CB 0.756 69.612 68.868 -0.019 0.000 1.319 342 T HN 0.050 nan 8.240 nan 0.000 0.485 343 K N 3.188 123.580 120.400 -0.012 0.000 2.404 343 K HA 0.406 4.726 4.320 -0.000 0.000 0.194 343 K C 0.654 177.246 176.600 -0.012 0.000 1.023 343 K CA 0.157 56.438 56.287 -0.010 0.000 1.094 343 K CB -0.164 32.333 32.500 -0.005 0.000 0.841 343 K HN 0.443 nan 8.250 nan 0.000 0.523 344 L N 2.872 124.086 121.223 -0.016 0.000 2.416 344 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 344 L C -2.021 174.817 176.870 -0.052 0.000 1.161 344 L CA -2.204 52.624 54.840 -0.020 0.000 0.845 344 L CB 0.137 42.190 42.059 -0.010 0.000 1.119 344 L HN -0.042 nan 8.230 nan 0.000 0.464 345 P HA 0.091 nan 4.420 nan 0.000 0.265 345 P C -0.644 176.530 177.300 -0.210 0.000 1.193 345 P CA 0.386 63.412 63.100 -0.123 0.000 0.765 345 P CB 0.424 32.047 31.700 -0.129 0.000 0.823 346 I N 2.919 123.366 120.570 -0.205 0.000 2.377 346 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 346 I C -0.267 175.645 176.117 -0.343 0.000 0.987 346 I CA -0.860 60.289 61.300 -0.253 0.000 1.185 346 I CB 1.730 39.646 38.000 -0.141 0.000 1.341 346 I HN -0.024 nan 8.210 nan 0.000 0.455 347 V N 7.224 126.816 119.914 -0.536 0.000 2.487 347 V HA 0.398 4.518 4.120 -0.000 0.000 0.298 347 V C 0.017 175.925 176.094 -0.309 0.000 1.028 347 V CA -0.610 61.364 62.300 -0.543 0.000 0.860 347 V CB 1.932 33.059 31.823 -1.159 0.000 0.991 347 V HN 0.463 nan 8.190 nan 0.000 0.427 348 I N 4.713 125.198 120.570 -0.142 0.000 2.363 348 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 348 I C 0.459 176.569 176.117 -0.012 0.000 1.075 348 I CA 0.211 61.467 61.300 -0.073 0.000 1.333 348 I CB 0.429 38.406 38.000 -0.039 0.000 1.415 348 I HN 0.510 nan 8.210 nan 0.000 0.502 349 K N 5.670 126.072 120.400 0.003 0.000 2.263 349 K HA 0.541 4.860 4.320 -0.000 0.000 0.272 349 K C 0.441 177.075 176.600 0.056 0.000 1.033 349 K CA -0.169 56.155 56.287 0.062 0.000 0.884 349 K CB 0.848 33.396 32.500 0.080 0.000 1.107 349 K HN 0.856 nan 8.250 nan 0.000 0.460 350 G N 2.337 111.185 108.800 0.080 0.000 2.189 350 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.113 350 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.113 350 G C -0.496 174.451 174.900 0.079 0.000 1.038 350 G CA -0.493 44.661 45.100 0.091 0.000 0.704 350 G HN 0.467 nan 8.290 nan 0.000 0.490 351 V N 0.520 120.486 119.914 0.087 0.000 2.508 351 V HA 0.385 4.505 4.120 -0.000 0.000 0.281 351 V C 1.059 177.209 176.094 0.093 0.000 1.041 351 V CA 0.631 62.987 62.300 0.094 0.000 1.016 351 V CB 1.490 33.380 31.823 0.111 0.000 0.984 351 V HN 0.497 nan 8.190 nan 0.000 0.478 352 Q N 3.948 123.801 119.800 0.089 0.000 2.149 352 Q HA 0.303 4.643 4.340 -0.000 0.000 0.221 352 Q C 0.253 176.297 176.000 0.074 0.000 0.807 352 Q CA -0.170 55.681 55.803 0.080 0.000 1.000 352 Q CB 0.833 29.617 28.738 0.077 0.000 1.157 352 Q HN 0.842 nan 8.270 nan 0.000 0.487 353 R N -2.397 118.151 120.500 0.080 0.000 2.663 353 R HA 0.373 4.712 4.340 -0.000 0.000 0.267 353 R C -0.297 176.044 176.300 0.069 0.000 1.038 353 R CA -0.536 55.605 56.100 0.069 0.000 0.886 353 R CB 0.419 30.760 30.300 0.068 0.000 1.249 353 R HN -0.247 nan 8.270 nan 0.000 0.463 354 T N 1.168 115.752 114.554 0.049 0.000 2.803 354 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 354 T C 0.940 175.662 174.700 0.037 0.000 1.052 354 T CA 2.160 64.283 62.100 0.039 0.000 1.136 354 T CB -0.138 68.745 68.868 0.024 0.000 0.864 354 T HN 0.607 nan 8.240 nan 0.000 0.467 355 E N 1.307 121.530 120.200 0.039 0.000 2.085 355 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 355 E C 1.996 178.616 176.600 0.034 0.000 0.994 355 E CA 1.106 57.520 56.400 0.024 0.000 0.801 355 E CB -0.215 29.501 29.700 0.026 0.000 0.743 355 E HN 0.403 nan 8.360 nan 0.000 0.453 356 D N -0.433 120.032 120.400 0.107 0.000 2.269 356 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 356 D C 1.826 178.234 176.300 0.180 0.000 0.963 356 D CA 0.418 54.546 54.000 0.213 0.000 0.864 356 D CB 0.077 41.072 40.800 0.325 0.000 0.936 356 D HN 0.046 nan 8.370 nan 0.000 0.505 357 V N 1.086 121.064 119.914 0.107 0.000 2.358 357 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 357 V C 2.484 178.598 176.094 0.033 0.000 1.047 357 V CA 1.023 63.371 62.300 0.080 0.000 1.035 357 V CB -0.285 31.571 31.823 0.055 0.000 0.658 357 V HN 0.156 nan 8.190 nan 0.000 0.452 358 I N -0.394 120.174 120.570 -0.003 0.000 2.226 358 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 358 I C 2.575 178.631 176.117 -0.102 0.000 1.100 358 I CA 1.672 62.946 61.300 -0.044 0.000 1.374 358 I CB -0.365 37.606 38.000 -0.049 0.000 1.057 358 I HN 0.211 nan 8.210 nan 0.000 0.413 359 K N 0.642 120.936 120.400 -0.178 0.000 2.103 359 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 359 K C 2.207 178.614 176.600 -0.322 0.000 1.048 359 K CA 1.537 57.562 56.287 -0.437 0.000 0.930 359 K CB -0.207 31.775 32.500 -0.862 0.000 0.716 359 K HN 0.349 nan 8.250 nan 0.000 0.444 360 A N 0.952 123.763 122.820 -0.014 0.000 1.902 360 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 360 A C 2.293 179.905 177.584 0.047 0.000 1.181 360 A CA 1.891 54.023 52.037 0.160 0.000 0.623 360 A CB -0.726 18.393 19.000 0.200 0.000 0.818 360 A HN 0.382 nan 8.150 nan 0.000 0.443 361 A N -0.289 122.531 122.820 0.001 0.000 1.933 361 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 361 A C 1.906 179.470 177.584 -0.033 0.000 1.175 361 A CA 1.698 53.726 52.037 -0.014 0.000 0.628 361 A CB -0.509 18.479 19.000 -0.021 0.000 0.814 361 A HN 0.640 nan 8.150 nan 0.000 0.444 362 E N -0.203 119.955 120.200 -0.070 0.000 2.051 362 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 362 E C 1.796 178.360 176.600 -0.059 0.000 0.991 362 E CA 1.564 57.914 56.400 -0.083 0.000 0.799 362 E CB -0.424 29.193 29.700 -0.137 0.000 0.748 362 E HN 0.894 nan 8.360 nan 0.000 0.449 363 I N -2.298 118.243 120.570 -0.048 0.000 3.334 363 I HA 0.185 4.355 4.170 -0.000 0.000 0.282 363 I C 1.222 177.350 176.117 0.018 0.000 1.313 363 I CA 0.725 62.029 61.300 0.006 0.000 1.396 363 I CB -0.327 37.721 38.000 0.079 0.000 1.054 363 I HN 0.118 nan 8.210 nan 0.000 0.495 364 G N 1.279 110.083 108.800 0.005 0.000 2.176 364 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 364 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 364 G C 0.224 175.125 174.900 0.002 0.000 1.024 364 G CA 0.332 45.432 45.100 0.000 0.000 0.755 364 G HN 0.434 nan 8.290 nan 0.000 0.507 365 V N -0.165 119.758 119.914 0.015 0.000 3.319 365 V HA 0.477 4.597 4.120 -0.000 0.000 0.303 365 V C 1.793 177.871 176.094 -0.026 0.000 1.094 365 V CA 1.075 63.373 62.300 -0.004 0.000 1.106 365 V CB 1.449 33.282 31.823 0.016 0.000 1.099 365 V HN 0.379 nan 8.190 nan 0.000 0.476 366 S N 1.251 116.914 115.700 -0.062 0.000 2.414 366 S HA 0.294 4.763 4.470 -0.000 0.000 0.227 366 S C 0.379 174.952 174.600 -0.045 0.000 1.022 366 S CA 0.782 58.944 58.200 -0.063 0.000 0.958 366 S CB 0.237 63.376 63.200 -0.102 0.000 0.797 366 S HN 1.205 nan 8.310 nan 0.000 0.493 367 G N -0.517 108.251 108.800 -0.053 0.000 2.495 367 G HA2 0.529 4.489 3.960 -0.000 0.000 0.294 367 G HA3 0.529 4.489 3.960 -0.000 0.000 0.294 367 G C -2.127 172.781 174.900 0.013 0.000 1.397 367 G CA -0.423 44.683 45.100 0.010 0.000 0.790 367 G HN 0.058 nan 8.290 nan 0.000 0.486 368 V N -0.533 119.446 119.914 0.109 0.000 2.888 368 V HA 0.613 4.732 4.120 -0.000 0.000 0.309 368 V C -0.722 175.512 176.094 0.234 0.000 1.114 368 V CA -0.612 61.757 62.300 0.116 0.000 0.940 368 V CB 2.237 34.120 31.823 0.100 0.000 1.021 368 V HN 0.786 nan 8.190 nan 0.000 0.426 369 V N 6.284 126.322 119.914 0.206 0.000 2.328 369 V HA 0.436 4.555 4.120 -0.000 0.000 0.278 369 V C -0.011 176.195 176.094 0.186 0.000 1.021 369 V CA -0.578 61.883 62.300 0.269 0.000 0.838 369 V CB 1.343 33.320 31.823 0.257 0.000 0.999 369 V HN 0.636 nan 8.190 nan 0.000 0.447 370 L N 4.718 126.050 121.223 0.182 0.000 2.485 370 L HA 0.475 4.815 4.340 -0.000 0.000 0.279 370 L C 0.474 177.425 176.870 0.135 0.000 1.124 370 L CA 0.795 55.716 54.840 0.135 0.000 0.888 370 L CB 0.537 42.663 42.059 0.110 0.000 1.217 370 L HN 0.792 nan 8.230 nan 0.000 0.464 371 S N 2.858 118.628 115.700 0.117 0.000 2.552 371 S HA 0.363 4.833 4.470 -0.000 0.000 0.272 371 S C -0.484 174.180 174.600 0.107 0.000 1.150 371 S CA -0.902 57.365 58.200 0.111 0.000 0.849 371 S CB 1.468 64.731 63.200 0.106 0.000 1.113 371 S HN 0.773 nan 8.310 nan 0.000 0.458 372 N N 1.628 120.395 118.700 0.111 0.000 2.365 372 N HA 0.137 4.877 4.740 -0.000 0.000 0.257 372 N C -0.074 175.547 175.510 0.185 0.000 1.287 372 N CA -0.226 52.898 53.050 0.125 0.000 0.882 372 N CB -0.062 38.481 38.487 0.094 0.000 1.250 372 N HN 0.899 nan 8.380 nan 0.000 0.507 373 H N 0.715 119.808 119.070 0.038 0.000 2.903 373 H HA -0.135 4.421 4.556 -0.000 0.000 0.285 373 H C 1.090 176.413 175.328 -0.009 0.000 1.231 373 H CA 1.026 57.085 56.048 0.018 0.000 1.135 373 H CB -1.382 28.394 29.762 0.024 0.000 1.328 373 H HN 0.676 nan 8.280 nan 0.000 0.388 374 G N -0.677 108.175 108.800 0.086 0.000 2.225 374 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.267 374 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.267 374 G C 1.440 176.384 174.900 0.074 0.000 1.024 374 G CA 1.207 46.351 45.100 0.074 0.000 0.784 374 G HN 1.832 nan 8.290 nan 0.000 0.507 375 G N -1.219 107.636 108.800 0.092 0.000 2.160 375 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 375 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 375 G C 0.894 175.786 174.900 -0.014 0.000 1.008 375 G CA 1.078 46.215 45.100 0.062 0.000 0.724 375 G HN 1.081 nan 8.290 nan 0.000 0.514 376 R N -0.954 119.544 120.500 -0.003 0.000 2.334 376 R HA 0.218 4.557 4.340 -0.000 0.000 0.216 376 R C 1.750 177.998 176.300 -0.085 0.000 0.905 376 R CA 0.450 56.516 56.100 -0.057 0.000 1.064 376 R CB 0.133 30.420 30.300 -0.022 0.000 1.046 376 R HN 0.407 nan 8.270 nan 0.000 0.508 377 Q N 0.227 119.996 119.800 -0.052 0.000 2.175 377 Q HA 0.230 4.570 4.340 -0.000 0.000 0.177 377 Q C 0.333 176.323 176.000 -0.018 0.000 0.636 377 Q CA -0.267 55.493 55.803 -0.073 0.000 0.657 377 Q CB -0.063 28.611 28.738 -0.105 0.000 1.760 377 Q HN 0.129 nan 8.270 nan 0.000 0.417 378 L N 3.475 124.705 121.223 0.013 0.000 2.369 378 L HA 0.128 4.468 4.340 -0.000 0.000 0.279 378 L C -0.561 176.339 176.870 0.049 0.000 1.108 378 L CA -0.103 54.762 54.840 0.042 0.000 0.852 378 L CB 0.506 42.600 42.059 0.059 0.000 1.169 378 L HN 0.275 nan 8.230 nan 0.000 0.452 379 D N 3.979 124.417 120.400 0.063 0.000 2.350 379 D HA 0.167 4.806 4.640 -0.000 0.000 0.249 379 D C 0.117 176.513 176.300 0.161 0.000 1.119 379 D CA 0.416 54.434 54.000 0.031 0.000 0.886 379 D CB 0.500 41.319 40.800 0.031 0.000 1.195 379 D HN 0.444 nan 8.370 nan 0.000 0.437 380 F N -0.038 119.934 119.950 0.036 0.000 2.681 380 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 380 F C 0.816 176.635 175.800 0.032 0.000 0.676 380 F CA 0.331 58.350 58.000 0.031 0.000 1.496 380 F CB -1.790 37.225 39.000 0.025 0.000 1.827 380 F HN 0.206 nan 8.300 nan 0.000 0.328 381 S N 0.431 116.198 115.700 0.112 0.000 2.564 381 S HA 0.549 5.019 4.470 -0.000 0.000 0.278 381 S C 0.728 175.365 174.600 0.062 0.000 1.333 381 S CA -0.462 57.791 58.200 0.088 0.000 1.048 381 S CB 0.686 63.928 63.200 0.070 0.000 0.900 381 S HN 0.289 nan 8.310 nan 0.000 0.505 382 R N 1.923 122.462 120.500 0.065 0.000 2.738 382 R HA 0.370 4.710 4.340 -0.000 0.000 0.268 382 R C 0.394 176.708 176.300 0.024 0.000 1.062 382 R CA 0.218 56.343 56.100 0.043 0.000 1.158 382 R CB 0.171 30.494 30.300 0.039 0.000 1.046 382 R HN 0.743 nan 8.270 nan 0.000 0.493 383 A N 3.764 126.584 122.820 -0.000 0.000 2.545 383 A HA 0.090 4.410 4.320 -0.000 0.000 0.253 383 A C -1.587 175.983 177.584 -0.025 0.000 1.074 383 A CA -0.982 51.043 52.037 -0.019 0.000 0.760 383 A CB -0.129 18.830 19.000 -0.069 0.000 1.005 383 A HN 0.565 nan 8.150 nan 0.000 0.506 384 P HA -0.190 nan 4.420 nan 0.000 0.218 384 P C 1.337 178.612 177.300 -0.041 0.000 1.146 384 P CA 0.800 63.911 63.100 0.018 0.000 0.813 384 P CB 0.083 31.827 31.700 0.074 0.000 0.778 385 I N -0.236 120.236 120.570 -0.163 0.000 2.394 385 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 385 I C 2.072 178.076 176.117 -0.188 0.000 1.136 385 I CA 1.567 62.690 61.300 -0.295 0.000 1.425 385 I CB -0.602 36.877 38.000 -0.869 0.000 1.079 385 I HN -0.068 nan 8.210 nan 0.000 0.425 386 E N -0.384 119.730 120.200 -0.143 0.000 2.072 386 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 386 E C 2.209 178.785 176.600 -0.040 0.000 0.982 386 E CA 1.334 57.684 56.400 -0.083 0.000 0.803 386 E CB 0.105 29.770 29.700 -0.060 0.000 0.755 386 E HN 0.375 nan 8.360 nan 0.000 0.453 387 V N 1.969 121.870 119.914 -0.021 0.000 2.343 387 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 387 V C 2.513 178.610 176.094 0.005 0.000 1.051 387 V CA 1.227 63.530 62.300 0.005 0.000 1.036 387 V CB -0.552 31.286 31.823 0.026 0.000 0.654 387 V HN 0.407 nan 8.190 nan 0.000 0.451 388 L N 0.279 121.501 121.223 -0.001 0.000 1.997 388 L HA -0.291 4.048 4.340 -0.000 0.000 0.216 388 L C 2.653 179.520 176.870 -0.005 0.000 1.074 388 L CA 2.474 57.316 54.840 0.003 0.000 0.763 388 L CB -0.740 41.320 42.059 0.001 0.000 0.890 388 L HN 0.417 nan 8.230 nan 0.000 0.434 389 A N -0.797 122.011 122.820 -0.020 0.000 1.933 389 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 389 A C 2.199 179.778 177.584 -0.007 0.000 1.175 389 A CA 1.913 53.940 52.037 -0.017 0.000 0.628 389 A CB -0.533 18.448 19.000 -0.032 0.000 0.814 389 A HN 0.613 nan 8.150 nan 0.000 0.444 390 E N -0.986 119.211 120.200 -0.006 0.000 2.072 390 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 390 E C 1.895 178.497 176.600 0.004 0.000 0.982 390 E CA 1.493 57.893 56.400 0.001 0.000 0.803 390 E CB -0.050 29.652 29.700 0.004 0.000 0.755 390 E HN 0.537 nan 8.360 nan 0.000 0.453 391 T N 1.068 115.626 114.554 0.007 0.000 2.770 391 T HA -0.088 4.262 4.350 -0.000 0.000 0.263 391 T C 1.820 176.523 174.700 0.005 0.000 1.039 391 T CA 1.104 63.209 62.100 0.010 0.000 1.142 391 T CB -0.028 68.851 68.868 0.018 0.000 0.868 391 T HN 0.133 nan 8.240 nan 0.000 0.435 392 M N 0.744 120.346 119.600 0.003 0.000 2.086 392 M HA 0.018 4.498 4.480 -0.000 0.000 0.261 392 M C -0.723 175.577 176.300 -0.000 0.000 1.067 392 M CA 1.303 56.603 55.300 0.000 0.000 1.116 392 M CB -2.532 30.069 32.600 0.000 0.000 1.348 392 M HN 0.117 nan 8.290 nan 0.000 0.407 393 P HA -0.100 nan 4.420 nan 0.000 0.215 393 P C 1.825 179.125 177.300 -0.001 0.000 1.153 393 P CA 1.250 64.351 63.100 0.001 0.000 0.853 393 P CB -0.171 31.530 31.700 0.002 0.000 0.788 394 I N -1.433 119.137 120.570 -0.001 0.000 2.454 394 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 394 I C 1.956 178.070 176.117 -0.005 0.000 1.156 394 I CA 1.109 62.407 61.300 -0.002 0.000 1.433 394 I CB -0.383 37.616 38.000 -0.001 0.000 1.082 394 I HN -0.083 nan 8.210 nan 0.000 0.432 395 L N -0.130 121.090 121.223 -0.004 0.000 2.552 395 L HA -0.089 4.251 4.340 -0.000 0.000 0.227 395 L C 2.037 178.902 176.870 -0.008 0.000 1.146 395 L CA 0.569 55.404 54.840 -0.007 0.000 0.858 395 L CB -0.193 41.862 42.059 -0.008 0.000 0.969 395 L HN 0.235 nan 8.230 nan 0.000 0.451 396 E N -0.090 120.106 120.200 -0.005 0.000 2.065 396 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 396 E C 1.982 178.579 176.600 -0.005 0.000 0.960 396 E CA 0.326 56.723 56.400 -0.005 0.000 0.824 396 E CB 0.087 29.786 29.700 -0.002 0.000 0.793 396 E HN 0.209 nan 8.360 nan 0.000 0.459 397 Q N 0.139 119.937 119.800 -0.005 0.000 2.340 397 Q HA -0.252 4.088 4.340 -0.000 0.000 0.215 397 Q C 1.239 177.234 176.000 -0.008 0.000 0.998 397 Q CA 1.683 57.483 55.803 -0.005 0.000 0.921 397 Q CB 0.062 28.797 28.738 -0.005 0.000 0.926 397 Q HN 0.050 nan 8.270 nan 0.000 0.426 398 R N -1.920 118.574 120.500 -0.010 0.000 2.437 398 R HA 0.220 4.560 4.340 -0.000 0.000 0.257 398 R C 0.559 176.851 176.300 -0.013 0.000 0.927 398 R CA 0.488 56.580 56.100 -0.013 0.000 1.078 398 R CB 0.322 30.612 30.300 -0.016 0.000 1.161 398 R HN 0.349 nan 8.270 nan 0.000 0.529 399 N N 0.067 118.761 118.700 -0.011 0.000 2.849 399 N HA -0.206 4.534 4.740 -0.000 0.000 0.200 399 N C 0.562 176.065 175.510 -0.011 0.000 1.129 399 N CA 0.662 53.706 53.050 -0.010 0.000 1.320 399 N CB -1.263 37.218 38.487 -0.011 0.000 0.945 399 N HN 0.056 nan 8.380 nan 0.000 0.554 400 L N 2.295 123.510 121.223 -0.013 0.000 2.841 400 L HA -0.119 4.221 4.340 -0.000 0.000 0.249 400 L C 2.011 178.872 176.870 -0.014 0.000 1.177 400 L CA 0.773 55.604 54.840 -0.015 0.000 0.864 400 L CB -0.547 41.502 42.059 -0.017 0.000 1.026 400 L HN 0.237 nan 8.230 nan 0.000 0.457 401 K N 0.985 121.377 120.400 -0.012 0.000 2.008 401 K HA -0.267 4.052 4.320 -0.000 0.000 0.231 401 K C 0.543 177.132 176.600 -0.018 0.000 1.031 401 K CA 2.362 58.641 56.287 -0.013 0.000 0.995 401 K CB -0.163 32.331 32.500 -0.009 0.000 0.747 401 K HN 0.500 nan 8.250 nan 0.000 0.447 402 D N -0.667 119.723 120.400 -0.017 0.000 2.788 402 D HA 0.092 4.732 4.640 -0.000 0.000 0.289 402 D C 0.553 176.841 176.300 -0.019 0.000 1.340 402 D CA 0.002 53.990 54.000 -0.021 0.000 0.831 402 D CB 0.730 41.521 40.800 -0.015 0.000 1.103 402 D HN 0.181 nan 8.370 nan 0.000 0.476 403 K N -0.024 120.365 120.400 -0.019 0.000 2.262 403 K HA 0.097 4.417 4.320 -0.000 0.000 0.200 403 K C 0.250 176.838 176.600 -0.019 0.000 1.049 403 K CA 0.329 56.606 56.287 -0.017 0.000 0.979 403 K CB 0.867 33.358 32.500 -0.016 0.000 0.773 403 K HN -0.014 nan 8.250 nan 0.000 0.474 404 L N 1.404 122.612 121.223 -0.025 0.000 2.439 404 L HA 0.211 4.551 4.340 -0.000 0.000 0.270 404 L C -1.305 175.532 176.870 -0.055 0.000 0.972 404 L CA -0.348 54.476 54.840 -0.026 0.000 0.836 404 L CB 1.984 44.036 42.059 -0.012 0.000 1.255 404 L HN -0.079 nan 8.230 nan 0.000 0.404 405 E N 3.517 123.674 120.200 -0.071 0.000 2.259 405 E HA 0.345 4.694 4.350 -0.000 0.000 0.281 405 E C -1.028 175.416 176.600 -0.261 0.000 1.037 405 E CA -0.372 55.913 56.400 -0.193 0.000 0.854 405 E CB 1.484 31.069 29.700 -0.192 0.000 1.051 405 E HN 0.321 nan 8.360 nan 0.000 0.409 406 V N 5.490 125.206 119.914 -0.330 0.000 2.347 406 V HA 0.290 4.410 4.120 -0.000 0.000 0.280 406 V C -0.478 175.440 176.094 -0.293 0.000 1.021 406 V CA -0.520 61.666 62.300 -0.190 0.000 0.847 406 V CB -0.074 31.711 31.823 -0.064 0.000 0.990 406 V HN 0.489 nan 8.190 nan 0.000 0.444 407 F N 3.474 123.491 119.950 0.112 0.000 2.440 407 F HA 0.754 5.281 4.527 -0.000 0.000 0.328 407 F C 0.194 176.105 175.800 0.185 0.000 1.070 407 F CA -0.842 57.275 58.000 0.195 0.000 1.011 407 F CB 1.889 41.049 39.000 0.266 0.000 1.226 407 F HN 0.235 nan 8.300 nan 0.000 0.491 408 V N 1.466 121.625 119.914 0.408 0.000 2.841 408 V HA 0.546 4.665 4.120 -0.000 0.000 0.310 408 V C -1.545 174.694 176.094 0.241 0.000 1.090 408 V CA -0.385 62.076 62.300 0.269 0.000 0.930 408 V CB 2.121 34.068 31.823 0.207 0.000 1.014 408 V HN 0.903 nan 8.190 nan 0.000 0.425 409 D N 3.193 123.703 120.400 0.183 0.000 2.579 409 D HA 0.786 5.426 4.640 -0.000 0.000 0.257 409 D C -0.315 176.059 176.300 0.124 0.000 1.176 409 D CA 0.060 54.128 54.000 0.114 0.000 0.914 409 D CB 1.871 42.709 40.800 0.063 0.000 1.431 409 D HN 1.448 nan 8.370 nan 0.000 0.454 410 G N -1.424 107.433 108.800 0.096 0.000 3.355 410 G HA2 0.463 4.423 3.960 -0.000 0.000 0.686 410 G HA3 0.463 4.423 3.960 -0.000 0.000 0.686 410 G C 0.721 175.721 174.900 0.167 0.000 1.097 410 G CA 0.371 45.544 45.100 0.122 0.000 0.881 410 G HN 1.844 nan 8.290 nan 0.000 0.550 411 G N -0.779 108.101 108.800 0.134 0.000 2.148 411 G HA2 0.023 3.983 3.960 -0.000 0.000 0.254 411 G HA3 0.023 3.983 3.960 -0.000 0.000 0.254 411 G C 0.595 175.572 174.900 0.129 0.000 0.981 411 G CA 0.741 45.939 45.100 0.163 0.000 0.670 411 G HN 1.913 nan 8.290 nan 0.000 0.528 412 V N 1.323 121.225 119.914 -0.021 0.000 2.432 412 V HA 0.537 4.656 4.120 -0.000 0.000 0.271 412 V C 1.188 177.181 176.094 -0.169 0.000 1.046 412 V CA -0.074 62.109 62.300 -0.197 0.000 0.945 412 V CB 1.315 33.018 31.823 -0.200 0.000 0.992 412 V HN 0.377 nan 8.190 nan 0.000 0.471 413 R N 3.649 124.048 120.500 -0.169 0.000 2.582 413 R HA 0.339 4.679 4.340 -0.000 0.000 0.285 413 R C 0.314 176.439 176.300 -0.291 0.000 0.940 413 R CA -0.163 55.769 56.100 -0.281 0.000 1.072 413 R CB 1.020 31.094 30.300 -0.376 0.000 1.527 413 R HN 0.487 nan 8.270 nan 0.000 0.538 414 R N -0.537 119.855 120.500 -0.179 0.000 2.795 414 R HA 0.375 4.715 4.340 -0.000 0.000 0.275 414 R C 0.828 177.054 176.300 -0.123 0.000 0.981 414 R CA -0.230 55.791 56.100 -0.131 0.000 0.917 414 R CB 1.683 31.970 30.300 -0.021 0.000 1.202 414 R HN 0.023 nan 8.270 nan 0.000 0.469 415 G N 0.336 109.081 108.800 -0.091 0.000 2.505 415 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 415 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 415 G C 1.290 176.201 174.900 0.019 0.000 1.145 415 G CA 1.824 46.898 45.100 -0.043 0.000 0.761 415 G HN 0.708 nan 8.290 nan 0.000 0.571 416 T N -0.753 113.834 114.554 0.056 0.000 2.881 416 T HA -0.084 4.265 4.350 -0.000 0.000 0.270 416 T C 1.755 176.561 174.700 0.176 0.000 1.068 416 T CA 1.570 63.795 62.100 0.208 0.000 1.131 416 T CB -0.214 68.833 68.868 0.298 0.000 0.871 416 T HN 0.203 nan 8.240 nan 0.000 0.479 417 D N 1.501 121.886 120.400 -0.026 0.000 2.097 417 D HA -0.059 4.581 4.640 -0.000 0.000 0.195 417 D C 2.377 178.631 176.300 -0.077 0.000 0.989 417 D CA 0.892 54.734 54.000 -0.263 0.000 0.827 417 D CB -0.657 39.722 40.800 -0.701 0.000 0.966 417 D HN 0.318 nan 8.370 nan 0.000 0.456 418 V N 1.239 121.129 119.914 -0.040 0.000 2.332 418 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 418 V C 2.698 178.884 176.094 0.153 0.000 1.055 418 V CA 1.204 63.545 62.300 0.069 0.000 1.038 418 V CB -0.545 31.321 31.823 0.072 0.000 0.651 418 V HN 0.180 nan 8.190 nan 0.000 0.450 419 L N -0.622 120.702 121.223 0.168 0.000 2.046 419 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 419 L C 2.619 179.649 176.870 0.267 0.000 1.077 419 L CA 1.745 56.709 54.840 0.207 0.000 0.747 419 L CB -0.576 41.602 42.059 0.198 0.000 0.896 419 L HN 0.293 nan 8.230 nan 0.000 0.432 420 K N -0.005 120.578 120.400 0.305 0.000 2.032 420 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 420 K C 2.231 178.949 176.600 0.197 0.000 1.048 420 K CA 1.549 57.975 56.287 0.233 0.000 0.927 420 K CB -0.363 32.247 32.500 0.183 0.000 0.712 420 K HN 0.294 nan 8.250 nan 0.000 0.441 421 A N 1.315 124.290 122.820 0.258 0.000 1.902 421 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 421 A C 2.148 179.816 177.584 0.139 0.000 1.181 421 A CA 1.361 53.520 52.037 0.202 0.000 0.623 421 A CB -0.675 18.488 19.000 0.272 0.000 0.818 421 A HN 0.167 nan 8.150 nan 0.000 0.443 422 L N -0.973 120.337 121.223 0.145 0.000 2.093 422 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 422 L C 2.631 179.555 176.870 0.091 0.000 1.085 422 L CA 1.079 55.984 54.840 0.109 0.000 0.755 422 L CB -0.744 41.383 42.059 0.112 0.000 0.904 422 L HN 0.453 nan 8.230 nan 0.000 0.435 423 C N -0.110 119.258 119.300 0.113 0.000 2.422 423 C HA -0.123 4.336 4.460 -0.000 0.000 0.279 423 C C 2.623 177.656 174.990 0.071 0.000 1.305 423 C CA 0.571 59.650 59.018 0.101 0.000 1.757 423 C CB -0.819 27.007 27.740 0.143 0.000 1.962 423 C HN 0.444 nan 8.230 nan 0.000 0.499 424 L N 0.011 121.273 121.223 0.065 0.000 2.492 424 L HA 0.181 4.521 4.340 -0.000 0.000 0.223 424 L C 1.863 178.750 176.870 0.028 0.000 1.132 424 L CA 1.202 56.065 54.840 0.039 0.000 0.850 424 L CB -0.317 41.758 42.059 0.026 0.000 0.966 424 L HN 0.529 nan 8.230 nan 0.000 0.454 425 G N -0.552 108.267 108.800 0.032 0.000 2.148 425 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.157 425 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.157 425 G C 0.313 175.205 174.900 -0.014 0.000 1.012 425 G CA -0.273 44.833 45.100 0.009 0.000 0.677 425 G HN 0.390 nan 8.290 nan 0.000 0.506 426 A N -0.129 122.696 122.820 0.008 0.000 2.531 426 A HA 0.614 4.933 4.320 -0.000 0.000 0.236 426 A C 1.340 178.882 177.584 -0.069 0.000 1.062 426 A CA 1.532 53.558 52.037 -0.018 0.000 0.760 426 A CB 0.469 19.512 19.000 0.072 0.000 0.995 426 A HN 0.444 nan 8.150 nan 0.000 0.501 427 K N 0.949 121.202 120.400 -0.246 0.000 2.137 427 K HA 0.202 4.522 4.320 -0.000 0.000 0.202 427 K C 0.788 177.370 176.600 -0.030 0.000 1.052 427 K CA 1.390 57.521 56.287 -0.259 0.000 0.961 427 K CB 0.104 32.250 32.500 -0.591 0.000 0.741 427 K HN 0.961 nan 8.250 nan 0.000 0.452 428 G N -1.316 107.548 108.800 0.107 0.000 2.677 428 G HA2 0.508 4.467 3.960 -0.000 0.000 0.291 428 G HA3 0.508 4.467 3.960 -0.000 0.000 0.291 428 G C -1.837 173.426 174.900 0.605 0.000 1.435 428 G CA -0.659 44.766 45.100 0.541 0.000 0.826 428 G HN -0.108 nan 8.290 nan 0.000 0.491 429 V N 0.319 120.496 119.914 0.438 0.000 2.483 429 V HA 0.771 4.891 4.120 -0.000 0.000 0.297 429 V C 0.734 176.692 176.094 -0.228 0.000 1.027 429 V CA -0.256 62.163 62.300 0.197 0.000 0.855 429 V CB 1.426 33.350 31.823 0.169 0.000 0.995 429 V HN 1.110 nan 8.190 nan 0.000 0.424 430 G N 3.990 112.461 108.800 -0.548 0.000 2.412 430 G HA2 0.719 4.678 3.960 -0.000 0.000 0.318 430 G HA3 0.719 4.678 3.960 -0.000 0.000 0.318 430 G C -1.331 173.367 174.900 -0.337 0.000 1.146 430 G CA -0.470 44.011 45.100 -1.032 0.000 0.882 430 G HN 0.474 nan 8.290 nan 0.000 0.501 431 L N 0.856 121.954 121.223 -0.208 0.000 2.386 431 L HA 0.641 4.981 4.340 -0.000 0.000 0.271 431 L C 1.037 177.914 176.870 0.011 0.000 0.993 431 L CA -0.244 54.575 54.840 -0.035 0.000 0.819 431 L CB 2.154 44.251 42.059 0.062 0.000 1.294 431 L HN 0.696 nan 8.230 nan 0.000 0.414 432 G N 0.827 109.596 108.800 -0.052 0.000 2.651 432 G HA2 0.078 4.038 3.960 -0.000 0.000 0.226 432 G HA3 0.078 4.038 3.960 -0.000 0.000 0.226 432 G C 1.288 176.077 174.900 -0.186 0.000 1.542 432 G CA -0.070 44.968 45.100 -0.104 0.000 0.868 432 G HN 0.512 nan 8.290 nan 0.000 0.588 433 R N 1.000 121.338 120.500 -0.270 0.000 2.096 433 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 433 R C -0.126 175.773 176.300 -0.668 0.000 1.139 433 R CA 2.095 57.862 56.100 -0.556 0.000 0.952 433 R CB -1.014 29.052 30.300 -0.391 0.000 0.854 433 R HN 0.310 nan 8.270 nan 0.000 0.436 434 P HA -0.153 nan 4.420 nan 0.000 0.216 434 P C 0.738 177.791 177.300 -0.413 0.000 1.150 434 P CA 1.372 64.305 63.100 -0.278 0.000 0.837 434 P CB -0.026 31.449 31.700 -0.375 0.000 0.786 435 F N -1.373 118.421 119.950 -0.260 0.000 2.259 435 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 435 F C 2.303 177.929 175.800 -0.290 0.000 1.088 435 F CA 0.836 58.684 58.000 -0.254 0.000 1.358 435 F CB -1.246 37.635 39.000 -0.198 0.000 1.040 435 F HN -0.212 nan 8.300 nan 0.000 0.505 436 L N -1.155 119.912 121.223 -0.259 0.000 2.013 436 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 436 L C 2.427 179.171 176.870 -0.210 0.000 1.073 436 L CA 1.435 56.023 54.840 -0.421 0.000 0.753 436 L CB -0.715 40.821 42.059 -0.871 0.000 0.890 436 L HN 0.132 nan 8.230 nan 0.000 0.432 437 Y N -0.564 119.690 120.300 -0.077 0.000 2.200 437 Y HA -0.179 4.370 4.550 -0.000 0.000 0.290 437 Y C 2.583 178.459 175.900 -0.040 0.000 1.137 437 Y CA 0.638 58.764 58.100 0.044 0.000 1.163 437 Y CB -1.286 37.266 38.460 0.154 0.000 0.988 437 Y HN 0.139 nan 8.280 nan 0.000 0.518 438 A N 0.221 122.929 122.820 -0.186 0.000 1.877 438 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 438 A C 2.270 179.767 177.584 -0.146 0.000 1.186 438 A CA 1.833 53.508 52.037 -0.605 0.000 0.620 438 A CB -1.103 17.220 19.000 -1.129 0.000 0.822 438 A HN 0.598 nan 8.150 nan 0.000 0.443 439 N N -0.331 118.326 118.700 -0.070 0.000 2.166 439 N HA -0.135 4.604 4.740 -0.000 0.000 0.186 439 N C 1.620 177.162 175.510 0.054 0.000 1.019 439 N CA 1.510 54.564 53.050 0.008 0.000 0.856 439 N CB -0.018 38.469 38.487 -0.000 0.000 0.993 439 N HN 0.428 nan 8.380 nan 0.000 0.426 440 S N -0.535 115.219 115.700 0.090 0.000 2.436 440 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 440 S C 1.969 176.607 174.600 0.063 0.000 1.014 440 S CA 0.373 58.655 58.200 0.137 0.000 0.950 440 S CB 0.075 63.444 63.200 0.281 0.000 0.784 440 S HN 0.512 nan 8.310 nan 0.000 0.504 441 C N -0.720 118.595 119.300 0.025 0.000 2.527 441 C HA 0.275 4.735 4.460 -0.000 0.000 0.280 441 C C 1.220 175.985 174.990 -0.375 0.000 1.353 441 C CA -0.061 58.835 59.018 -0.204 0.000 1.749 441 C CB -0.817 26.789 27.740 -0.225 0.000 2.088 441 C HN 0.629 nan 8.230 nan 0.000 0.508 442 Y N 0.166 120.509 120.300 0.071 0.000 2.728 442 Y HA 0.396 4.946 4.550 -0.000 0.000 0.256 442 Y C 1.553 177.473 175.900 0.035 0.000 1.112 442 Y CA 0.368 58.510 58.100 0.069 0.000 1.240 442 Y CB -0.439 38.091 38.460 0.117 0.000 1.337 442 Y HN 0.335 nan 8.280 nan 0.000 0.559 443 G N 1.883 110.760 108.800 0.129 0.000 2.594 443 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.297 443 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.297 443 G C 1.222 176.168 174.900 0.076 0.000 1.273 443 G CA 0.999 46.149 45.100 0.084 0.000 0.974 443 G HN 0.471 nan 8.290 nan 0.000 0.552 444 R N -0.108 120.427 120.500 0.059 0.000 2.083 444 R HA -0.066 4.274 4.340 -0.000 0.000 0.237 444 R C 2.121 178.451 176.300 0.050 0.000 1.137 444 R CA 2.093 58.218 56.100 0.042 0.000 0.951 444 R CB -0.662 29.656 30.300 0.031 0.000 0.851 444 R HN 0.456 nan 8.270 nan 0.000 0.434 445 N N 0.488 119.228 118.700 0.067 0.000 2.331 445 N HA -0.057 4.683 4.740 -0.000 0.000 0.180 445 N C 1.893 177.436 175.510 0.056 0.000 1.019 445 N CA 1.384 54.471 53.050 0.061 0.000 0.881 445 N CB -0.454 38.070 38.487 0.062 0.000 0.972 445 N HN 0.501 nan 8.380 nan 0.000 0.435 446 G N 1.157 110.009 108.800 0.087 0.000 2.421 446 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 446 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 446 G C 1.691 176.519 174.900 -0.120 0.000 1.171 446 G CA 0.863 45.967 45.100 0.007 0.000 0.775 446 G HN 0.181 nan 8.290 nan 0.000 0.543 447 V N 0.639 120.537 119.914 -0.026 0.000 2.287 447 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 447 V C 2.595 178.767 176.094 0.131 0.000 1.053 447 V CA 2.307 64.654 62.300 0.077 0.000 1.027 447 V CB -0.513 31.357 31.823 0.079 0.000 0.646 447 V HN 0.496 nan 8.190 nan 0.000 0.447 448 E N 0.013 120.264 120.200 0.085 0.000 2.077 448 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 448 E C 2.251 178.919 176.600 0.114 0.000 0.989 448 E CA 1.503 57.961 56.400 0.096 0.000 0.800 448 E CB -0.025 29.711 29.700 0.060 0.000 0.746 448 E HN 0.435 nan 8.360 nan 0.000 0.452 449 K N 0.767 121.228 120.400 0.101 0.000 2.063 449 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 449 K C 1.743 178.454 176.600 0.185 0.000 1.048 449 K CA 1.515 57.885 56.287 0.139 0.000 0.928 449 K CB -0.475 32.139 32.500 0.190 0.000 0.713 449 K HN 0.143 nan 8.250 nan 0.000 0.442 450 A N 0.683 123.595 122.820 0.153 0.000 1.877 450 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 450 A C 2.276 179.914 177.584 0.091 0.000 1.186 450 A CA 1.858 53.927 52.037 0.052 0.000 0.620 450 A CB -0.741 18.056 19.000 -0.339 0.000 0.822 450 A HN 0.355 nan 8.150 nan 0.000 0.443 451 I N -0.344 120.405 120.570 0.298 0.000 2.208 451 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 451 I C 2.545 178.837 176.117 0.292 0.000 1.097 451 I CA 1.831 63.384 61.300 0.421 0.000 1.363 451 I CB -0.478 37.745 38.000 0.372 0.000 1.051 451 I HN 0.452 nan 8.210 nan 0.000 0.413 452 E N 0.812 121.118 120.200 0.177 0.000 2.072 452 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 452 E C 2.317 178.967 176.600 0.083 0.000 0.985 452 E CA 1.233 57.706 56.400 0.121 0.000 0.801 452 E CB -0.118 29.631 29.700 0.082 0.000 0.750 452 E HN 0.465 nan 8.360 nan 0.000 0.452 453 I N 0.808 121.410 120.570 0.054 0.000 2.118 453 I HA -0.299 3.870 4.170 -0.000 0.000 0.241 453 I C 2.475 178.574 176.117 -0.029 0.000 1.070 453 I CA 0.861 62.161 61.300 -0.000 0.000 1.327 453 I CB -0.163 37.826 38.000 -0.019 0.000 1.034 453 I HN 0.138 nan 8.210 nan 0.000 0.405 454 L N 0.679 121.857 121.223 -0.075 0.000 2.056 454 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 454 L C 2.609 179.492 176.870 0.021 0.000 1.078 454 L CA 1.689 56.425 54.840 -0.173 0.000 0.749 454 L CB -0.824 40.900 42.059 -0.559 0.000 0.901 454 L HN 0.134 nan 8.230 nan 0.000 0.433 455 R N -0.195 120.426 120.500 0.202 0.000 2.083 455 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 455 R C 1.753 178.128 176.300 0.127 0.000 1.137 455 R CA 2.153 58.413 56.100 0.266 0.000 0.951 455 R CB -0.602 29.844 30.300 0.243 0.000 0.851 455 R HN 0.428 nan 8.270 nan 0.000 0.434 456 D N 0.443 120.888 120.400 0.076 0.000 2.117 456 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 456 D C 1.847 178.159 176.300 0.020 0.000 0.982 456 D CA 1.023 55.047 54.000 0.040 0.000 0.828 456 D CB -0.220 40.594 40.800 0.024 0.000 0.967 456 D HN 0.422 nan 8.370 nan 0.000 0.464 457 E N 0.100 120.303 120.200 0.005 0.000 2.118 457 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 457 E C 2.232 178.832 176.600 -0.001 0.000 0.992 457 E CA 0.531 56.924 56.400 -0.012 0.000 0.804 457 E CB 0.016 29.691 29.700 -0.042 0.000 0.741 457 E HN 0.318 nan 8.360 nan 0.000 0.458 458 I N 0.793 121.380 120.570 0.029 0.000 2.233 458 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 458 I C 2.223 178.356 176.117 0.028 0.000 1.093 458 I CA 1.035 62.363 61.300 0.046 0.000 1.380 458 I CB -0.169 37.900 38.000 0.115 0.000 1.067 458 I HN 0.071 nan 8.210 nan 0.000 0.413 459 E N 0.544 120.766 120.200 0.036 0.000 2.077 459 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 459 E C 2.289 178.887 176.600 -0.003 0.000 0.989 459 E CA 1.365 57.777 56.400 0.020 0.000 0.800 459 E CB -0.096 29.620 29.700 0.028 0.000 0.746 459 E HN 0.467 nan 8.360 nan 0.000 0.452 460 M N 0.059 119.655 119.600 -0.008 0.000 2.200 460 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 460 M C 2.211 178.484 176.300 -0.046 0.000 1.066 460 M CA 1.014 56.301 55.300 -0.021 0.000 1.127 460 M CB 0.193 32.783 32.600 -0.016 0.000 1.379 460 M HN -0.086 nan 8.290 nan 0.000 0.420 461 S N -0.248 115.415 115.700 -0.062 0.000 2.496 461 S HA 0.114 4.583 4.470 -0.000 0.000 0.224 461 S C 1.775 176.280 174.600 -0.159 0.000 0.996 461 S CA 0.487 58.612 58.200 -0.124 0.000 0.927 461 S CB -0.022 63.095 63.200 -0.138 0.000 0.774 461 S HN 0.396 nan 8.310 nan 0.000 0.524 462 M N 0.970 120.514 119.600 -0.093 0.000 2.099 462 M HA -0.082 4.397 4.480 -0.000 0.000 0.262 462 M C 2.290 178.547 176.300 -0.071 0.000 1.067 462 M CA 1.371 56.625 55.300 -0.077 0.000 1.124 462 M CB -0.347 32.236 32.600 -0.029 0.000 1.353 462 M HN 0.236 nan 8.290 nan 0.000 0.410 463 R N -0.011 120.457 120.500 -0.053 0.000 2.080 463 R HA -0.161 4.179 4.340 -0.000 0.000 0.236 463 R C 1.988 178.255 176.300 -0.055 0.000 1.137 463 R CA 1.173 57.248 56.100 -0.042 0.000 0.943 463 R CB -0.442 29.841 30.300 -0.028 0.000 0.846 463 R HN 0.232 nan 8.270 nan 0.000 0.431 464 L N 0.675 121.853 121.223 -0.075 0.000 2.201 464 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 464 L C 2.099 178.901 176.870 -0.114 0.000 1.105 464 L CA 1.332 56.122 54.840 -0.083 0.000 0.775 464 L CB -0.651 41.354 42.059 -0.089 0.000 0.913 464 L HN 0.236 nan 8.230 nan 0.000 0.440 465 L N -0.680 120.446 121.223 -0.162 0.000 2.291 465 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 465 L C 1.326 178.146 176.870 -0.083 0.000 1.120 465 L CA 0.877 55.609 54.840 -0.180 0.000 0.799 465 L CB -0.326 41.585 42.059 -0.246 0.000 0.925 465 L HN 0.557 nan 8.230 nan 0.000 0.446 466 G N 0.500 109.265 108.800 -0.059 0.000 2.149 466 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 466 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 466 G C 0.021 174.910 174.900 -0.018 0.000 1.018 466 G CA 0.283 45.365 45.100 -0.029 0.000 0.728 466 G HN 0.339 nan 8.290 nan 0.000 0.508 467 V N -3.521 116.379 119.914 -0.023 0.000 3.046 467 V HA 0.972 5.091 4.120 -0.000 0.000 0.316 467 V C 0.738 176.828 176.094 -0.006 0.000 1.104 467 V CA 0.468 62.763 62.300 -0.008 0.000 1.006 467 V CB 1.868 33.690 31.823 -0.001 0.000 1.058 467 V HN 0.945 nan 8.190 nan 0.000 0.440 468 T N -1.984 112.572 114.554 0.004 0.000 3.058 468 T HA 0.440 4.790 4.350 -0.000 0.000 0.278 468 T C 0.523 175.232 174.700 0.014 0.000 0.974 468 T CA 0.498 62.602 62.100 0.007 0.000 0.893 468 T CB -0.401 68.472 68.868 0.008 0.000 1.138 468 T HN 1.619 nan 8.240 nan 0.000 0.529 469 S N -0.176 115.535 115.700 0.017 0.000 2.671 469 S HA 0.623 5.093 4.470 -0.000 0.000 0.277 469 S C 0.440 175.057 174.600 0.027 0.000 1.165 469 S CA -0.953 57.262 58.200 0.024 0.000 0.822 469 S CB 0.758 63.973 63.200 0.026 0.000 1.150 469 S HN -0.104 nan 8.310 nan 0.000 0.479 470 I N 1.248 121.836 120.570 0.031 0.000 2.252 470 I HA -0.037 4.133 4.170 -0.000 0.000 0.245 470 I C 2.940 179.077 176.117 0.034 0.000 1.102 470 I CA 1.940 63.261 61.300 0.036 0.000 1.385 470 I CB -2.070 35.951 38.000 0.034 0.000 1.064 470 I HN 0.886 nan 8.210 nan 0.000 0.414 471 A N 0.389 123.226 122.820 0.029 0.000 2.076 471 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 471 A C 2.112 179.711 177.584 0.026 0.000 1.160 471 A CA 1.421 53.474 52.037 0.026 0.000 0.653 471 A CB -0.646 18.369 19.000 0.024 0.000 0.801 471 A HN 0.503 nan 8.150 nan 0.000 0.455 472 E N -0.807 119.409 120.200 0.026 0.000 2.481 472 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 472 E C -0.483 176.136 176.600 0.031 0.000 1.047 472 E CA -0.256 56.158 56.400 0.025 0.000 0.867 472 E CB -0.041 29.670 29.700 0.020 0.000 0.858 472 E HN 0.566 nan 8.360 nan 0.000 0.513 473 L N 1.935 123.180 121.223 0.038 0.000 2.283 473 L HA 0.240 4.579 4.340 -0.000 0.000 0.287 473 L C -0.108 176.795 176.870 0.055 0.000 1.073 473 L CA 0.097 54.968 54.840 0.052 0.000 0.822 473 L CB 0.471 42.567 42.059 0.063 0.000 1.186 473 L HN -0.174 nan 8.230 nan 0.000 0.436 474 K N 3.531 123.967 120.400 0.059 0.000 2.480 474 K HA 0.427 4.747 4.320 -0.000 0.000 0.258 474 K C -1.946 174.692 176.600 0.063 0.000 0.990 474 K CA -1.467 54.851 56.287 0.052 0.000 0.857 474 K CB 1.938 34.462 32.500 0.039 0.000 1.384 474 K HN -0.072 nan 8.250 nan 0.000 0.446 475 P HA -0.215 nan 4.420 nan 0.000 0.221 475 P C 0.400 177.735 177.300 0.059 0.000 1.145 475 P CA 1.254 64.386 63.100 0.053 0.000 0.795 475 P CB 0.161 31.883 31.700 0.036 0.000 0.775 476 D N -0.792 119.640 120.400 0.055 0.000 2.348 476 D HA -0.112 4.527 4.640 -0.000 0.000 0.216 476 D C 1.375 177.719 176.300 0.074 0.000 0.970 476 D CA 0.625 54.657 54.000 0.054 0.000 0.889 476 D CB -0.224 40.600 40.800 0.041 0.000 0.912 476 D HN 0.032 nan 8.370 nan 0.000 0.524 477 L N 0.608 121.888 121.223 0.094 0.000 2.478 477 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 477 L C 0.880 177.875 176.870 0.207 0.000 1.140 477 L CA 0.518 55.439 54.840 0.135 0.000 0.842 477 L CB -0.625 41.514 42.059 0.133 0.000 0.953 477 L HN 0.115 nan 8.230 nan 0.000 0.452 478 L N -0.370 120.947 121.223 0.157 0.000 2.322 478 L HA 0.291 4.630 4.340 -0.000 0.000 0.279 478 L C -0.193 176.730 176.870 0.089 0.000 1.036 478 L CA -0.767 54.150 54.840 0.128 0.000 0.807 478 L CB 1.431 43.533 42.059 0.071 0.000 1.226 478 L HN -0.108 nan 8.230 nan 0.000 0.433 479 D N 2.883 123.334 120.400 0.085 0.000 2.380 479 D HA 0.242 4.882 4.640 -0.000 0.000 0.230 479 D C 0.219 176.547 176.300 0.046 0.000 1.154 479 D CA -0.061 53.980 54.000 0.068 0.000 0.859 479 D CB 0.983 41.834 40.800 0.085 0.000 1.045 479 D HN 0.384 nan 8.370 nan 0.000 0.495 480 L N 2.805 124.046 121.223 0.028 0.000 2.628 480 L HA 0.064 4.404 4.340 -0.000 0.000 0.229 480 L C 2.003 178.879 176.870 0.009 0.000 1.137 480 L CA -0.008 54.841 54.840 0.015 0.000 0.909 480 L CB -0.014 42.050 42.059 0.009 0.000 1.137 480 L HN 0.371 nan 8.230 nan 0.000 0.470 481 S N -1.863 113.842 115.700 0.007 0.000 2.481 481 S HA -0.110 4.359 4.470 -0.000 0.000 0.231 481 S C 1.632 176.228 174.600 -0.006 0.000 0.996 481 S CA 1.053 59.251 58.200 -0.003 0.000 0.942 481 S CB -0.474 62.720 63.200 -0.011 0.000 0.768 481 S HN 0.497 nan 8.310 nan 0.000 0.520 482 T N -1.410 113.143 114.554 -0.001 0.000 3.174 482 T HA 0.387 4.737 4.350 -0.000 0.000 0.269 482 T C 1.242 175.951 174.700 0.015 0.000 1.017 482 T CA -0.449 61.652 62.100 0.002 0.000 0.899 482 T CB -0.157 68.706 68.868 -0.008 0.000 1.077 482 T HN 0.238 nan 8.240 nan 0.000 0.552 483 L N 0.696 121.924 121.223 0.009 0.000 2.089 483 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 483 L C 1.794 178.662 176.870 -0.003 0.000 1.079 483 L CA 1.576 56.415 54.840 -0.003 0.000 0.758 483 L CB -0.196 41.855 42.059 -0.014 0.000 0.891 483 L HN 0.218 nan 8.230 nan 0.000 0.433 484 K N -0.069 120.331 120.400 0.000 0.000 2.444 484 K HA 0.155 4.475 4.320 -0.000 0.000 0.193 484 K C 0.861 177.466 176.600 0.007 0.000 1.024 484 K CA 0.496 56.785 56.287 0.002 0.000 1.077 484 K CB -0.014 32.486 32.500 0.002 0.000 0.833 484 K HN 0.200 nan 8.250 nan 0.000 0.517 485 A N 2.371 125.197 122.820 0.010 0.000 3.051 485 A HA 0.041 4.361 4.320 -0.000 0.000 0.257 485 A C 0.202 177.798 177.584 0.020 0.000 1.785 485 A CA -0.149 51.896 52.037 0.013 0.000 1.420 485 A CB -0.679 18.329 19.000 0.012 0.000 1.063 485 A HN 0.066 nan 8.150 nan 0.000 0.630 486 R N 1.735 122.248 120.500 0.021 0.000 2.215 486 R HA 0.339 4.679 4.340 -0.000 0.000 0.337 486 R C -0.765 175.554 176.300 0.033 0.000 1.010 486 R CA 0.297 56.414 56.100 0.028 0.000 0.871 486 R CB 0.451 30.768 30.300 0.028 0.000 1.134 486 R HN 0.496 nan 8.270 nan 0.000 0.477 487 T N -0.268 114.307 114.554 0.034 0.000 2.908 487 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 487 T C -0.416 174.307 174.700 0.038 0.000 1.034 487 T CA -0.744 61.374 62.100 0.031 0.000 1.010 487 T CB 2.135 71.017 68.868 0.022 0.000 1.068 487 T HN 0.150 nan 8.240 nan 0.000 0.481 488 V N 1.758 121.693 119.914 0.035 0.000 2.407 488 V HA 0.682 4.801 4.120 -0.000 0.000 0.291 488 V C 1.060 177.168 176.094 0.024 0.000 1.018 488 V CA -0.845 61.477 62.300 0.037 0.000 0.842 488 V CB 1.157 33.007 31.823 0.045 0.000 0.996 488 V HN 1.273 nan 8.190 nan 0.000 0.426 489 G N 2.648 111.461 108.800 0.022 0.000 2.544 489 G HA2 0.401 4.361 3.960 -0.000 0.000 0.242 489 G HA3 0.401 4.361 3.960 -0.000 0.000 0.242 489 G C 0.143 175.048 174.900 0.009 0.000 1.247 489 G CA -0.017 45.090 45.100 0.012 0.000 0.840 489 G HN 1.075 nan 8.290 nan 0.000 0.578 490 V N 1.549 121.463 119.914 -0.000 0.000 2.843 490 V HA 0.370 4.489 4.120 -0.000 0.000 0.305 490 V C -1.810 174.284 176.094 -0.000 0.000 1.065 490 V CA -1.495 60.804 62.300 -0.003 0.000 1.116 490 V CB 0.500 32.315 31.823 -0.012 0.000 0.968 490 V HN 0.587 nan 8.190 nan 0.000 0.487 491 P HA 0.172 nan 4.420 nan 0.000 0.268 491 P C -0.218 177.086 177.300 0.007 0.000 1.204 491 P CA 0.108 63.214 63.100 0.010 0.000 0.768 491 P CB 0.196 31.903 31.700 0.012 0.000 0.842 492 N N 1.515 120.223 118.700 0.014 0.000 2.424 492 N HA 0.008 4.747 4.740 -0.000 0.000 0.257 492 N C -0.254 175.271 175.510 0.025 0.000 1.250 492 N CA -0.166 52.892 53.050 0.014 0.000 0.946 492 N CB 0.505 38.995 38.487 0.005 0.000 1.175 492 N HN 0.452 nan 8.380 nan 0.000 0.477 493 D N 1.854 122.271 120.400 0.029 0.000 2.453 493 D HA 0.013 4.653 4.640 -0.000 0.000 0.223 493 D C 1.340 177.697 176.300 0.096 0.000 1.183 493 D CA -0.271 53.760 54.000 0.052 0.000 0.933 493 D CB 0.553 41.371 40.800 0.030 0.000 1.038 493 D HN 0.352 nan 8.370 nan 0.000 0.513 494 V N 4.039 123.997 119.914 0.073 0.000 2.407 494 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 494 V C 1.988 178.134 176.094 0.085 0.000 1.055 494 V CA 1.191 63.535 62.300 0.073 0.000 1.049 494 V CB -0.450 31.404 31.823 0.051 0.000 0.662 494 V HN 0.517 nan 8.190 nan 0.000 0.455 495 L N -1.296 119.980 121.223 0.089 0.000 2.027 495 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 495 L C 2.618 179.550 176.870 0.102 0.000 1.074 495 L CA 2.407 57.295 54.840 0.081 0.000 0.745 495 L CB -0.923 41.179 42.059 0.071 0.000 0.898 495 L HN 0.452 nan 8.230 nan 0.000 0.433 496 Y N 1.473 121.791 120.300 0.031 0.000 2.053 496 Y HA -0.357 4.193 4.550 -0.000 0.000 0.277 496 Y C 2.362 178.302 175.900 0.067 0.000 1.159 496 Y CA 2.351 60.474 58.100 0.038 0.000 1.125 496 Y CB -0.411 38.056 38.460 0.011 0.000 0.969 496 Y HN 0.229 nan 8.280 nan 0.000 0.492 497 N N -0.632 118.220 118.700 0.253 0.000 2.223 497 N HA -0.192 4.547 4.740 -0.000 0.000 0.185 497 N C 1.683 177.268 175.510 0.124 0.000 1.016 497 N CA 0.865 54.029 53.050 0.191 0.000 0.863 497 N CB -0.167 38.418 38.487 0.163 0.000 0.983 497 N HN 0.370 nan 8.380 nan 0.000 0.429 498 E N 1.106 121.354 120.200 0.079 0.000 2.017 498 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 498 E C 2.020 178.631 176.600 0.018 0.000 0.997 498 E CA 1.341 57.770 56.400 0.047 0.000 0.804 498 E CB -0.191 29.531 29.700 0.036 0.000 0.757 498 E HN 0.263 nan 8.360 nan 0.000 0.448 499 V N -0.831 119.076 119.914 -0.012 0.000 2.490 499 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 499 V C 1.346 177.401 176.094 -0.065 0.000 1.061 499 V CA 1.270 63.542 62.300 -0.048 0.000 1.064 499 V CB -1.331 30.452 31.823 -0.067 0.000 0.670 499 V HN 0.319 nan 8.190 nan 0.000 0.461 500 Y N 3.181 123.369 120.300 -0.186 0.000 2.717 500 Y HA 0.211 4.761 4.550 -0.000 0.000 0.330 500 Y C 0.457 176.308 175.900 -0.082 0.000 1.217 500 Y CA -0.288 57.707 58.100 -0.175 0.000 1.506 500 Y CB -0.039 38.303 38.460 -0.198 0.000 1.268 500 Y HN 0.474 nan 8.280 nan 0.000 0.561 501 E N 4.813 124.492 120.200 -0.867 0.000 2.158 501 E HA 0.409 4.758 4.350 -0.000 0.000 0.271 501 E C 0.027 176.016 176.600 -1.019 0.000 0.911 501 E CA -0.721 55.268 56.400 -0.686 0.000 0.767 501 E CB 1.360 30.842 29.700 -0.364 0.000 1.120 501 E HN 0.885 nan 8.360 nan 0.000 0.405 502 G N 3.298 111.770 108.800 -0.546 0.000 2.599 502 G HA2 0.308 4.268 3.960 -0.000 0.000 0.264 502 G HA3 0.308 4.268 3.960 -0.000 0.000 0.264 502 G C -2.023 172.801 174.900 -0.126 0.000 1.200 502 G CA -0.845 44.124 45.100 -0.219 0.000 0.896 502 G HN 0.299 nan 8.290 nan 0.000 0.536 503 P HA 0.257 nan 4.420 nan 0.000 0.269 503 P C 0.171 177.459 177.300 -0.019 0.000 1.217 503 P CA -0.070 63.023 63.100 -0.012 0.000 0.783 503 P CB 0.647 32.362 31.700 0.025 0.000 0.898 504 T N -1.532 113.007 114.554 -0.025 0.000 2.916 504 T HA 0.696 5.045 4.350 -0.000 0.000 0.292 504 T C -0.177 174.509 174.700 -0.024 0.000 1.064 504 T CA -0.965 61.121 62.100 -0.024 0.000 1.011 504 T CB 0.644 69.493 68.868 -0.031 0.000 1.152 504 T HN 0.094 nan 8.240 nan 0.000 0.510 505 L N 1.754 122.962 121.223 -0.026 0.000 2.399 505 L HA 0.485 4.825 4.340 -0.000 0.000 0.265 505 L C 1.074 177.908 176.870 -0.060 0.000 1.089 505 L CA -1.019 53.797 54.840 -0.041 0.000 0.802 505 L CB 0.799 42.836 42.059 -0.038 0.000 1.180 505 L HN 0.912 nan 8.230 nan 0.000 0.454 506 T N -1.231 113.270 114.554 -0.088 0.000 2.932 506 T HA 0.162 4.512 4.350 -0.000 0.000 0.312 506 T C -0.092 174.517 174.700 -0.151 0.000 1.071 506 T CA -0.604 61.427 62.100 -0.114 0.000 1.128 506 T CB 0.532 69.314 68.868 -0.144 0.000 0.984 506 T HN 0.491 nan 8.240 nan 0.000 0.549 507 E N 0.164 120.294 120.200 -0.116 0.000 2.250 507 E HA 0.498 4.847 4.350 -0.000 0.000 0.269 507 E C -0.424 176.086 176.600 -0.150 0.000 1.018 507 E CA -0.697 55.653 56.400 -0.084 0.000 0.873 507 E CB 0.736 30.439 29.700 0.005 0.000 1.134 507 E HN 0.544 nan 8.360 nan 0.000 0.403 508 F N 1.145 121.092 119.950 -0.005 0.000 2.444 508 F HA 0.071 4.598 4.527 -0.000 0.000 0.331 508 F C 1.115 176.912 175.800 -0.005 0.000 1.167 508 F CA -0.152 57.845 58.000 -0.005 0.000 1.262 508 F CB 0.426 39.423 39.000 -0.005 0.000 1.196 508 F HN 0.325 nan 8.300 nan 0.000 0.583 509 E N 1.196 121.514 120.200 0.198 0.000 2.502 509 E HA 0.053 4.403 4.350 -0.000 0.000 0.261 509 E C 1.124 177.777 176.600 0.089 0.000 0.974 509 E CA 0.932 57.395 56.400 0.104 0.000 0.936 509 E CB 0.383 30.134 29.700 0.085 0.000 0.926 509 E HN 0.664 nan 8.360 nan 0.000 0.459 510 D N 2.818 123.250 120.400 0.055 0.000 2.133 510 D HA -0.002 4.638 4.640 -0.000 0.000 0.192 510 D C 0.690 177.009 176.300 0.032 0.000 1.001 510 D CA 2.050 56.074 54.000 0.039 0.000 0.844 510 D CB -0.050 nan 40.800 nan 0.000 0.944 510 D HN 0.686 nan 8.370 nan 0.000 0.447 511 A N 0.000 122.837 122.820 0.029 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.049 52.037 0.021 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486